栗田典之/研究業績一覧

 

国際学術雑誌に発表した論文

  1. "Specific interactions between androgen receptor and its ligand: ab initio molecular orbital calculations in water",
    I. Kobayashi, R. Takeda, R. suzuki, K. Shimamura, H. Ishimura, R. Kadoya, N. Kurita, K. Kawai, M. Takimoto-Kamimura,
    Journal of Molecular Graphics and Modelling, 2017, 75, 383-389.
  2. "Molecular dynamics and ab initio FMO calculations on the effect of water molecules on the interactions between androgen receptor and its ligand and cofactor",
    K. Shimamura, H. Ishimura, I. Kobayashi, R. Kadoya, N. Kurita, K. Kawai, M. Takimoto-Kamimura,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  3. "Effect of cofactor-binding on the specific interactions between androgen receptor and its ligand: ab initio molecular simulations",
    I. Kobayashi, K. Shimamura, H. Ishimura, R. Kadoya, N. Kurita, K. Kawai, M. Takimoto-Kamimura,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  4. "Ab initio molecular simulations on the binding properties between mycobacterial FtsZ and its inhibitor",
    M. Fujimori, R. Kadoya, S. Ota, K. Pavel, Y. Blume, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  5. "Ab initio fragment molecular orbital calculations on the specific interactions between amyloid-β peptides in an in vivo amyloid-β fibril",
    H. Ishimura, R. Kadoya, K. Shimamura, S. Ota, M. Fujimori, A. Okamoto, S. Shulga, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  6. "Specific interactions between M. tuberculosis CYP130 and its inhibitors: molecular simulations using ab initio fragment molecular orbital method",
    R. Kadoya, M. Fujimori, R. Takeda, T. Mizushima, P. Kamsri, P. Meewong, P. Pungpo, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  7. "Ab initio molecular simulations on specific interactions between amyloid-β peptide and new curcumin derivatives",
    S. Ota, H. Ishimura, M. Fujimori, S. Shulga, N. Kurita N.
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  8. "Ab initio molecular simulations based on FMO method for proposing potent inhibitors to reverse transcriptase of HIV",
    R. Takeda, R. Kadoya, I. Kobayashi, P. Kamsri, P. Meewong, P. Pungpo, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  9. "Molecular simulations on specific interactions between β-Sectretase and its inhibitors for the treatment of Alzheimer’s disease",
    M. T. H. Khan, T. Murakawa, T. Okada, N. Kurita,
    Current Topics in Medicinal Chemistry, 2015, in press ???.
  10. "Influence of solvating water molecules on the attacking mechanisms of OH-radical to DNA base pairs: DFT calculations in explicit waters",
    K. Shimamura, N. Okutsu, E. Shimizu, S. Shulga, Y.B. Blume, V.I. Danilov, N. Kurita,
    Structural Chemistry, 2016, 27, 1793-1806, DOI 10.1007/s11224-016-0800-3.
  11. "DFT study on the attacking mechanisms of H and OH radicals to G-C and A-T base pairs in water",
    N. Okutsu, K. Shimamura, E. Shimizu, S. Shulga, V.I. Danilov, N. Kurita,
    AIP Conference Proceedings 1709, 020006 (2016); doi: 10.1063/1.4941205.
  12. "Specific interactions between diarylpyrimidine derivatives and HIV-1 RT: Molecular docking and ab initio FMO calculations",
    R. Kadoya, T. Mizushima, T. Suzuki, P. Kamsri, P. Meewong, P. Pungpo and N. Kurita,
    PACCON 2015, 2015, 291-294.
  13. "Specific interactions between acetyl- and butyryl-cholinesterase and their inhibitors: ab initio molecular simulations",
    T. Suzuki, T. Murakawa, R. Kadoya, M.T.H.Khan, N. Kurita,
    PACCON 2015, 2015, 295-298.
  14. "Ab initio molecular simulations for model systems of metal organic frameworks and a proposal of novel organic ligands for MOFs",
    T. Sugimoto, T. Mizushima, A. Okamoto, N. Kurita,
    Materials Today Asia 2014, 2014, December 9-12, Hong Kong, Hong Kong.
  15. "Specific interactions between amyloid-β peptide and curcumin derivatives: Ab initio molecular simulations",
    H. Ishimura, R. Kadoya, T. Suzuki, T. Murakawa, S. Shulga, N. Kurita,
    Chemical Physics Letters, 2015, 633, 139-145.
  16. "Specific interactions between DNA and regulatory protein controlled by ligand-binding: Ab initio molecular simulation",
    Y. Matsushita, T. Murakawa, K. Shimamura, M. Oishi, T. Ohyama, N. Kurita,
    AIP conference proceedings, 2015, 1649, 121-129.
  17. "Ab initio fragment molecular orbital calculations on specific interactions between acetylcholinesterase and its carbamate inhibitors",
    T. Okada, T. Murakawa, M. T. H. Khan, K. Komers, M. Kovářová, N. Kurita,
    Current Topics in Medicinal Chemistry, 2014, in press.
  18. "Molecular simulations on specific interactions between β-Secretase and its inhibitors for the treatment of Alzheimer’s disease",
    M.T.H.Khan, T. Okada, T. Murakawa, N. Kurita,
    Current Topics in Medicinal Chemistry, 2014, in press.
  19. "ab initio molecular simulations for proposing potent inhibitors to butyrylcholinesterases",
    T. Murakawa, Y. Matsushita, T. Suzuki, M.T.H.Khan, N. Kurita,
    Journal of Molecular Graphics and Modeling, 2014, 54, 54-61.
  20. "Structures and electronic properties of metal organic frameworks: DFT and ab initio FMO calculations for model systems",
    T. Sugimoto, T. Mizushima, A. Okamoto, N. Kurita,
    Chemical physical Letters, 2014, 612, 295-301.
  21. "Effect of D23N mutation on the dimer conformation of amyloid β-proteins: ab initio molecular simulations in water",
    A. Okamoto, A. Yano, K. Nomura, S. Higai, N. Kurita,
    Journal of Molecular Graphics and Modelling, 2014, 50, 113-124.
  22. "Difference in dimer conformation between amyloid-β (1–42) and (1–43) proteins: replica exchange molecular dynamics simulations in water",
    A. Yano, A. Okamoto, K. Nomura, S. Higai, N. Kurita,
    Chemical Physics Letters, 2014, 595, 242-249.
  23. "Attacking mechanism of hydroxyl radical to DNA base-pair:density functional study in vacuum and in water",
    E. Shimizu, Y. Tokuyama, N. Okutsu, V. I. Danilov, N. Kurita,
    Journal of Biomolecular Structure & Dynamics, 2013, in press.
  24. "Stable conformation of full-length amyloid-β (1-42) monomer in water: replica exchange molecular dynamics and ab initio molecular orbital simulations",
    A. Okamoto, A. Yano, K. Nomura, S. Higai, N. Kurita,
    Chemical Physics Letters, 2013, 577, 131-137.
  25. "The effects of vitronectin on specific interactions between urokinase-type plasminogen activator and its receptor: Ab initio molecular orbital calculations",
    T. Kasumi, K. Araki, T. Ohyama, S. Tsuji, E. Yoshikawa, H. Kobayashi, N. Kurita,
    Molecular Simulation, 2013, in press.
  26. "DFT study on reaction mechanism of DNA base pair with hydroxyl radical",
    E. Shimizu, R. Hoshino, K. Nomura, V. I. Danilov, N. Kurita,
    Journal of Modern Physics, 2013, 4, 442-451.
  27. "DFT calculations on the effect of solvation on the tautomeric reactions for wobble Gua-Thy and canonical Gua-Cyt base-pairs",
    K. Nomura, R. Hoshino, E. Shimizu, Y. Hoshiba, V. I. Danilov, N. Kurita,
    Journal of Modern Physics, 2013, 4, 422-431.
  28. "A proposal of potent inhibitor for cancer metastasis blocking the pocket of urokinase receptor: ab initio molecular simulations",
    T. Kasumi, K. Araki, T. Mizushima, H.Kobayashi, N. Kurita,
    Journal of Physics Conference Series, 2013, in press.
  29. "Proposal for an inhibitor of Alzheimer's disease blocking aggregation of amyloid-β peptides: ab initio molecular simulations",
    A. Okamoto, K. Nomura, A. Yano, S. Higai, T. Kondo, S. Kamba, N. Kurita,
    Journal of Physics Conference Series, 2013, 43, 012033.
  30. "Effect of BrU on the transition between wobble Gua-Thy and tautomeric Gua-Thy base-pairs: ab initio molecular orbital calculations",
    K. Nomura, R. Hoshino, Y. Hoshiba, V. I. Danilov, N. Kurita,
    Journal of Physics Conference Series, 2013, in press.
  31. "Ab initio molecular simulations on specific interactions between amyloid beta and monosaccharides",
    K. Nomura, A. Okamoto, A. Yano, S. Higai, T. Kondo, S. Kamba, N. Kurita,
    Chemical Physics Letters, 2012, 547,89-96.
  32. "Ab initio fragment molecular orbital calculations on specific interactions between aryl hydrocarbon receptor and dioxin",
    S. Miyagi, S. Sawamura, E. Yoshikawa, K. Dedachi, S. Itoh, M. Ishihara-Sugano, N. Kurita,
    International Journal of Quantum Chemistry, 2012, 112, 289-299.
  33. "A combined nonequilibrium Green's function/density-functional theory study of electrical conducting properties of artificial DNA duplexes",
    A. Okamoto, Y. Maeda, T. Tsukamoto, Y. Ishikawa, N. Kurita,
    Computational Materials Science, 2012, 53, 416-424.
  34. "A combined Green's function/density-functional theory study of electrical conducting properties of single molecules tethered to Au electrodes",
    Y. Hoshiba, Y. Maeda, K. Hamada, S. Fukuoka, Y. Ishikawa, N. Kurita,
    Chemical Physics Letters, 2012, 521, 39-44.
  35. "Effect of hydration on electrical conductivity of DNA duplex: Green’s function study combined with DFT",
    Y. Maeda, A. Okamoto, Y. Hoshiba, T. Tsukamoto, Y. Ishikawa, N. Kurita,
    Computational Materials Science, 2012, 53, 314-320.
  36. "Specific interactions and binding energies between thermolysin and potent inhibitors: Molecular simulations based on ab initio molecular orbital method",
    T. Hirakawa, S. Fujita, T. Ohyama, K. Dedachi, M. T. H. Khan, I. Sylte, N. Kurita,
    Journal of Molecular Graphics and Modelling, 2012, 33, 1-11.
  37. "Effect of amino-acid mutation on specific interactions between urokinase-type plasminogen activator and its receptor: ab initio molecular orbital calculations",
    S. Tsuji, T. Kasumi, K. Nagase, E. Yoshikawa, H. Kobayashi, N. Kurita,
    Journal of Molecular Graphics and Modeling, 2011, 29, 975-984.
  38. "Structure-based analysis of the molecular recognitions between HIV-1 TAR-RNA and transcription factor nuclear factor-kappaB (NFkB)",
    M. T. H. Khan, C. Mischiati, A. Ather, T. Ohyama, K. Dedachi, M. Borgatti, N. Kurita, R. Gambari,
    Journal Current Topics in Medicinal Chemistry, 2011, in press.
  39. "Specific interactions and binding free energies between thermolysin and dipeptides: Molecular simulations combined with Ab initio molecular orbital and classical vibrational analysis",
    K. Dedachi, T. Hirakawa, S. Fujita, M. T. H. Khan, I. Sylte, N. Kurita,
    Journal of Computational Chemistry, 2011, 32, 3047–3057.
  40. "Resonant neutral particle emission in collisions of electrons with pronated peptides with disulfide bonds at high energies",
    T. Tanabe, K. Noda, S. Miyagi, N. Kurita, S. Tanaka, J. Setzler, W. Wenzel, Evgeni B. Starikovj, Gianaurelio Cuniberti,
    Chemical Physics Letters, 2011, 504, 83-87.
  41. "Specific interactions between lactose repressor protein and DNA affected by ligand binding: ab initio molecular orbital calculations",
    T. Ohyama, M. Hayakawa, S. Nishikawa, N. Kurita,
    Journal of Computational Chemistry, 2011, 32, 1661-1670.
  42. "Specific interactions between aryl hydrocarbon receptor and dioxin congeners: Ab itinio fragment molecular orbital calculations",
    E. Yoshikawa, S. Miyagi, K. Dedachi, S. Itoh, M. Ishihara-Sugano, N. Kurita,
    Journal of Molecular Graphics and Modelling, 2010, 29, 197-205.
  43. "Structure-based Analysis of the Molecular Recognitions between HIV-1 TAR-RNA and Transcription Factor NFkB",
    MTH, Khan, C. Mischiati, A. Ather, T. Ohyama, K. Dedachi, N. Kurita, R. Gambari,
    Cellular and Molecular Life Sciences, 2010, in press.
  44. "Ab initio fragment molecular orbital calculations on the specific interactions between human, mouse and rat PPARα and GW409544",
    M. Hayakawa, T. Ohyama, Y. Yamaguchi, S. Iwabuchi, T. Nakagawa, T. Nakajima, N. Kurita,
    Molecular Simulation, 2010, 36, 644-656.
  45. "A combined simulation with ab initio MO and classical vibrational analysis on the specific interactions between thermolysin and dipeptide ligands",
    K. Dedachi, M. T. H. Khan, I. Sylte, N. Kurita,
    Chemical Physics Letters, 2009, 479, 290-295.
  46. "A combined DFT/Green’s function study on electrical conductivity through DNA duplex between Au electrodes",
    T. Tsukamoto, Y. Ishikawa, Y. Sengoku, N. Kurita,
    Chemical Physics Letters, 2009, 474, 362-365.
  47. "Hole-transfer Mechanism in Hydrated DNA Duplexes: Direct Ab Initio Molecular Dynamics Simulation",
    H. Wakabayashi, Y. Ishikawa, T. Tsukamoto, N. Kurita,
    ECS Transactions, 2009, 474, 362-365.
  48. "On the Mechanism of the Mutagenic Action of 5-Bromouracil: A DFT Study of Uracil and 5-Bromouracil in a Water Cluster",
    V. Danilov, T. V. Mourik, N. Kurita, H. Wakabayashi, T. Tsukamoto, D. Hovorun,
    The Journal of Physical Chemistry A, 2009, 113, 2233-2235.
  49. "Charge conducting properties of hydrated DNA duplex between Au electrodes obtained by molecular simulations and Green's function theory",
    T. Tsukamoto, H. Wakabayashi, Y. Sengoku, N. Kurita,
    International Journal of Quantum Chemistry, 2009, 109, 2058-2067.
  50. "Ab initio molecular orbital calculations on specific interactions between urokinase-type plasminogen activator and its receptor",
    K. Nagase, H. Kobayashi, E. Yoshikawa, N. Kurita,
    Journal of Molecular Graphics and Modelling, 2009, 28, 46-53.
  51. "Molecular simulations and Green's function studies on charge conducting properties of DNA+Au electrode system",
    T. Tsukamoto, Y. Ishikawa, H. Wakabayashi, Y. Sengoku, N. Kurita,
    Proceedings of the International Symposium on Frontiers of Computational Science 2008, 2008, 205-212.
  52. "Density-functional calculations of hydrated structures and electronic properties for G–C and A–T base pairs",
    I. Komura, Y. Ishikawa, T. Tsukamoto, T. Natsume, N. Kurita,
    Journal of Molecular Structure: THEOCHEM, 2008, 862, 122–129.
  53. "Hybrid QM/MM calculations on the structure and electronic properties of hydrated RNA base pair",
    K. Dedachi, Y. Ishikawa, T. Nakatsu, T. Natsume, T. Tsukamoto, N. Kurita,
    Journal of Molecular Structure: THEOCHEM, 2008, 854, 70-75.
  54. "A combined molecular dynamics/density-functional theoretical study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex",
    T. Tsukamoto, Y. Ishikawa, T. Natsume, K. Dedachi, N. Kurita,
    Chemical Physics Letters, 2007, 441, 136-142.
  55. "Charge transfer through single- and double-strand DNA: Simulations based on molecular dynamics and molecular orbital methods",
    K. Dedachi, T. Natsume, T. Nakatsu, S. Tanaka, Y. Ishikawa, N. Kurita,
    Chemical Physics Letters, 2007, 436, 244-251.
  56. "Hybridization energies of double strands composed of DNA, RNA, PNA and LNA",
    T. Natsume, Y. Ishikawa, K. Dedachi, T. Tsukamoto, N. Kurita,
    Chemical Physics Letters, 2007, 434, 133-138.
  57. "Electronic properties of solvated duplex DNAs by DFT calculations",
    T. Tsukamoto, Y. Ishikawa, M. J. Vilkas, T. Natsumea, K. Dedachi, N. Kurita,
    Lecture Series on Computer and Computational Sciences, 2007, 7, 1022-1025.
  58. "Density-functional theoretical study on hydrated DNA duplex: Effect of hydrating water molecules on HOMO distribution in DNA",
    T. Tsukamoto, Y. Ishikawa, M.J. Vilkas, T. Natsume, K. Dedachi, N. Kurita,
    Chemical Physics Letters, 2006, 429, 563-569.
  59. "Berberine alkaloid: Quantum chemical study of different forms by the DFT and MP2 methods",
    V.I. Danilov, V.V. Dailidonis, D.M. Hovorun, N. Kurita, Y. Murayama, T. Natsume, A.I. Potopalsky, L.A. Zaika,
    Chemical Physics Letters, 2006, 430, 409-413.
  60. "A DFT study on the electronic properties of DNA-DNA and PNA-DNA Double Strands",
    T. Natsume, Y. Ishikawa, K. Dedachi, T. Tsukamoto, N. Kurita,
    International Journal of Quantum Chemistry, 2006, 106, 3278-3287.
  61. "Density functional molecular orbital calculations on DNA-DNA, PNA-DNA and PNA-PNA double strands",
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    Proceedings of the International Symposium on Frontiers of Computational Science 2005, 2006, 299-303.
  62. "Charge transfer in single- and double-strand DNAs: theoretical analysis based on molecular orbital method",
    K. Dedachi, Y. Ishikawa, T. Natsume, T. Nakatsu, N. Kurita,
    International Journal of Quantum Chemistry, 2006, 106, 3270-3277.
  63. "Effect of alkali metal compounds on limestone calcination in desulfurization process: molecular dynamics simulations",
    T. Murakami, N. Kurita, I. Naruse,
    Journal of the Ceramic Society of Japan, 2006, 114 (8), 676-680.
  64. "Density-functional calculations on DNA-DNA, PNA-DNA and PNA-PNA double strands"
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    Chemical Physics Letters, 2006, 418, 239-244.
  65. "Structures and electronic properties of monomer, dimer and tetramer of lactose repressor protein: molecular mechanics, molecular dynamics, molecular orbital and charge equilibration calculations"
    N. Kurita, M. Matsuoka, Y. Sengoku,
    Journal of Theoretical & Computational Chemistry, 2006, 5, 59-74.
  66. "Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model",
    E. Starikov, S. Tanaka, N. Kurita, Y. Sengoku, T. Natsume, W. Wenzel,
    The European Physical Journal E, 2005, 18, 437-445.
  67. "Suppression of urokinase expression and invasion by a soybean kunitz trypsin inhibitor are mediated through inhibition of src-dependent signaling pathways",
    K. Inagaki, T. Yagyu, H. Kobayashi, M. Suzuki, N. Kanayama, T. Terao, R. Yoshida, Y. Kaneda, Y. Fukuda, T. Kondo, N. Kurita, T. Kitanaka, Y. Yamada, Y. Sakamoto,
    Journal of Biological Chemistry, 2005, 280(36), 31428-31437.
  68. "Bikunin down-regulates heterodimerization between CD44 and growth factor receptors and subsequently suppresses agonist-mediated signaling",
    K. Wakahara, T. Yagyu, H. Matsuzaki K. Inagaki, H. Kobayashi, M. Suzuki, T. Kondo, N. Kurita, H. Sekino,
    J Cell Biochem., 2005, 94(5), 995-1009.
  69. "Bikunin suppresses lipopolysaccharide-induced lethality through down-regulation of tumor necrosis factor-alpha and interleukin-1beta in macrophages,"
    K. Wakahara, H. Kobayashi, T. Yagyu, H. Matsuzaki, T. Kondo, N. Kurita, H. Sekino, K. Inagaki, M. Suzuki, N. Kanayama, T. Terao,
    J. Infect. Dis. 2005, 191, 930-938.
  70. "Plasma bikunin as a favorable prognostic factor in ovarian cancer",
    H. Matsuzaki, H. Kobayashi, T. Yagyu, K. Wakahara, T. Kondo, N. Kurita, H. Sekino, K. Inagaki, M. Suzuki, N. Kanayama, T. Terao,
    J Clin Oncol., 2005, 23(7), 1463-72.
  71. "Dietary supplementation of soybean kunitz trypsin inhibitor reduces lipopolysaccharide-induced lethality in mouse model",
    H. Kobayashi, R. Yoshida, Y. Kanada, Y. Fukuda, T. Yagyu, K. Inagaki, T. Kondo, N. Kurita, M. Suzuki, N. Kanayama, T. Terao,
    Shock. 2005, 23(5), 441-447.
  72. "Suppressing effects of daily oral supplementation of beta-glucan extracted from Agaricus blazei Murill on spontaneous and peritoneal disseminated metastasis in mouse model",
    H. Kobayashi, R. Yoshida, Y. Kanada, Y. Fukuda, T. Yagyu, K. Inagaki, T. Kondo, N. Kurita, M. Suzuki, N. Kanayama, T. Terao,
    J Cancer Res Clin Oncol, 2005, 131 (8): 527-538.
  73. "Thalidomide inhibits tumor necrosis factor-{alpha}-induced interleukin-8 expression in endometriotic stromal cells, possibly through suppression of nuclear factor-{kappa}B activation,"
    T. Yagyu, H. Kobayashi, H. Matsuzaki, K. Wakahara, T. Kondo, N. Kurita, H. Sekino, K. Inagaki, M. Suzuki, N. Kanayama, T. Terao,
    J Clin Endocrinol Metab, 2005, 90(5), 3017-21.
  74. "Reduced syndecan-1 expression stimulates heparin-binding growth factor-mediated invasion in ovarian cancer cells in a urokinase-independent mechanism,"
    H. Matsuzaki, H. Kobayashi, T. Yagyu, K. Wakahara, T. Kondo, N. Kurita, H. Sekino, K. Inagaki, M. Suzuki, N. Kanayama, and T. Terao,
    Oncol. Report. 2005, 14: 449-457.
  75. "Suppression of lipopolysaccharide-induced cytokine production of gingival fibroblasts by a soybean trypsin inhibitor",
    H. Kobayashi, R. Yoshida, Y. Kanada, Y. Fukuda, T. Yagyu, K. Inagaki, T. Kondo, N. Kurita, M. Suzuki, N. Kanayama, T. Terao,
    J. Periodontal Res. 2005, 40 (6), 461-468.
  76. "Suppression of urokinase receptor expression by thalidomide is associated with inhibition of nuclear factor kappa B activation and subsequently suppressed ovarian cancer dissemination,"
    H. Kobayashi, T. Yagyu, T. Kondo, N. Kurita, K. Inagaki, S. Haruta, R. Kawaguchi, T. Kitanaka, Y. Sakamoto, Y. Yamada, N. Kanayama, T. Terao,
    Cancer Res. 2005, 65 (22), 10464-10471.
  77. "A soybean kunitz trypsin inhibitor reduces tumor necrosis factor-alpha production in ultraviolet-exposed orimary human keratinocytes,"
    H. Kobayashi, T. Yoshida, Y. Kanada, Y. Fukuda, T. Yagyu, K. Inagaki, T. Kondo, N. Kurita, Y. Yamada, T. Sado, T. Kitanaka, M. Suzuki, N. Kanayama, T. Terao,
    Experimental Dermatol. 2005, 14 (10): 765-774.
  78. "Effect of solvent on cis-to-trans isomerization of 4-hydroxyazobenzene aggregated through intermolecular hydrogen bonds",
    M. Kojima, S. Nebashi, K. Ogawa, N. Kurita,
    Journal of Physical Organic Chemistry, 2005, 18, 994-1000.
  79. "Density functional molecular orbital calculations on the stability of hydrogen-bonded 4-hydroxyazobenzene dimers",
    N. Kurita, S. Nebashi, M. Kojima,
    Chemical Physics Letters, 2005, 408, 197-204.
  80. "Charge transfer through double-strand DNA and its base-mismatched ones: theoretical analysis based on semiempirical molecular orbital calculations",
    T. Natsume, K. Dedachi, S. Tanaka, T. Higuchi, N. Kurita,
    Chemical Physics Letters, 2005, 408, 381-388.
  81. "MP2 and DFT studies of the DNA rare base pairs: the molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases",
    V.I. Danilov, V.M. Anisimov, N. Kurita, D. Hovorun,
    Chemical Physics Letters, 2005, 412, 285-293.
  82. "The structure of Watson-Crick DNA base pairs obtained by MP2 optimization",
    N. Kurita, V.I. Danilov, V. Anisimov,
    Chemical Physics Letters, 2005, 404, 164-170.
  83. "The molecular mechanism of the spontaneous substitution mutations caused by tautomerism of bases: Post Hartree-Fock study of the DNA rare base pairs,"
    V.I. Danilov, D.M. Hovorun, N. Kurita,
    Biopolymers and Cell, 2005, 21, 70-79.
  84. "Density functional calculations on the interaction between catabolite activator protein and cyclic AMP using the fragment molecular orbital method",
    S. Sugiki, M. Matsuoka, R. Usuki, Y. Sengoku, N. Kurita, H. Sekino, S. Tanaka,
    J. of Theoretical and Computational Chemistry, 2005, 4, 1-13.
  85. "A kunitz-type protease inhibitor bikunin disrupts ligand-induced oligomerization of receptors for transforming growth factor (TGF)-β and subsequently suppresses TGF-β signalings,"
    T. Yagyu, K. Wakahara, H. Matsuzaki, K. Inagaki, H. Kobayashi, M. Suzuki, T. Kondo, N. Kurita, H. Sekino,
    FEBS Lett., 2004, 576(3), 408-416.
  86. "Transforming growth factor-β1-dependent activation of Smad2/3 and up-regulation of PAI-1 expression is negatively regulated by Src in SKOV-3 human ovarian cancer cells,"
    K. Wakahara, T. Yagyu, H. Matsuzaki, K. Inagaki, H. Kobayashi, M. Suzuki, T. Kondo, N. Kurita, H. Sekino,
    J. Cell Biochem., 2004, 93(3), 437-453.
  87. "Consistent charge equilibration (CQEq) method: applicable to amino acids and crambin protein",
    T. Ogawa, N. Kurita, H. Sekino, O. Kitao, S. Tanaka,
    Chemical Physics Letters, 2004, 397, 382-387.
  88. "Solvent effects on the suppression of oxidative decomposition of guanine by phenyl group attachment in DNA",
    S. Yokojima, A. Okada, W. Yanoi, N. Yoshiki, N. Kurita, S. Tanaka, K. Nakatani,
    J. Physical Chemistry B, 2004, 108, 7500-7505.
  89. "Effect of metal cation on photoisomerization of azobenzenes in zeolite nanocavities",
    M. Kojima, M. Nakajoh, S. Nebashi, N. Kurita,
    Research on Chemical Intermediates, 2004, 30, 181-190.
  90. "Fragment Molecular Orbital Method with Density Functional Theory and DIIS Convergence Acceleration",
    S. Sugiki, N. Kurita, Y. Sengoku, H. Sekino,
    Chemical Physics Letters, 2003, 382, 611-617.
  91. "Molecular Orbital Analysis Based on Fragment Molecular Orbital Scheme",
    H. Sekino, Y. Sengoku, S. Sugiki, N. Kurita,
    Chemical Physics Letters, 2003, 378, 589-597.
  92. "Charge Transfer in Duplex DNA Containing Mismatch",
    A. Okada, S. Yokojima, N. Kurita, Y. Sengoku, S. Tanaka,
    J. Mol. Struct., 2003, 630, 283-290.
  93. "Mechanism of Cis-to-Trans Isomerization of Azobenzene: Direct MD Study,"
    T. Ikegami, N. Kurita, H. Sekino, Y. Ishikawa,
    J. Physical Chemistry A, 2003, 107, 4555.
  94. "Consistent Charge Equilibration Method Combined with Universal Force Field: Application to Amino Acid Molecules",
    T. Ogawa, O. Kitao, N. Kurita, H. Sekino, S. Tanaka,
    Chem.-Bio. Informatics Journal, 2003, 3, 78.
  95. "Hydrogen Bonding of DNA Base Pairs by Consistent Charge Equilibration Method Combined with Universal Force Field",
    T. Ogawa, N. Kurita, H. Sekino, O. Kitao, S. Tanaka,
    Chemical Physics Letters, 2003, 374, 271-278.
  96. "Electronic Properties of DNA Binding Site in Transcription OmpR Family: Semiempirical Molecular Orbital Calculations",
    N. Kurita, Y. Sengoku, H. Sekino,
    Chemical Physics Letters, 2003, 372, 583-589.
  97. "Adjustment of Perdew-Wang Exchange Functional for Describing the Van der Waals and DNA Base-stacking Interactions,"
    N. Kurita, H. Inoue, H. Sekino,
    Chemical Physics Letters, 2003, 370, 161-169.
  98. "Ab Initio and DFT Studies for Accurate Description of Van der Waals Interaction Between Rare-gas Atoms,"
    N. Kurita, H. Sekino,
    International Journal of Quantum Chemistry, 2003, 91, 355-362.
  99. "Molecular Dynamics Simulations of the Effect of &nop(NaCl);-Doping on the Calcination Characteristics in Desulfurization Processes,"
    T. Murakami, N. Kurita, I. Naruse,
    J. of Chemical Engineering of Japan, 2003, 36, 225-230.
  100. "Possibility of Nonequilibrium Isomerization of Azobenzene Triggered by Vibrational Excitations,"
    S. Tanaka, S. Itoh, N. Kurita,
    Chemical Physics Letters, 2002, 362, 467-475.
  101. "Ab Initio Study of the Minimum-energy Structure of Trans-azobenzene,"
    N. Kurita, T. Ikegami, Y. Ishikawa,
    Chemical Physics Letters, 2002, 360, 349-354.
  102. "Molecular Orbital Calculations on the Effect of Atom-substitutions into Disordered Carbons on Their Electronic and Li-adsorption Properties,"
    N. Kurita, M. Endo,
    Molec. Cryst. & Liq. Cryst., 2002, 388, 523-529.
  103. "Molecular Orbital Calculations on Electronic and Li-absorption Properties of Sulfur-, Phosphorus- and Silicon-substituted Disordered Carbons,"
    N. Kurita, M. Endo,
    Carbon, 2002, 40, 253-260.
  104. "Ab Initio and DFT Studies for Accurate Description of Van der Waals Interaction between He Atoms,"
    N. Kurita, H. Sekino,
    Chemical Physics Letters, 2001, 348, 139-146.
  105. "Vibrational Energy Transfer in Azodendrimer and Azobenzene,"
    S. Tanaka, S. Itoh, N. Kurita,
    Chemical Physics, 2001, 272, 171-184.
  106. "Computing the Relative Gas-phase Populations of C60 and C70: Beyond the Traditional ? H0f,298 Scale"
    Z. Slanina, X. Zhao, N. Kurita, H. Gotoh, F. Uhlik, J.M. Rudzinski, K.H. Lee, L. Adamowicz,
    J. Molecular Graphics and Modeling, 2001, 19, 216-221.
  107. "Ab Initio Molecular Orbital and Density Functional Studies on the Stable Structures and Vibrational Properties of Trans- and Cis-azobenzenes,"
    N. Kurita, S. Tanaka, S. Itoh,
    J. Physical Chemistry A, 2000, 104, 8114-8120.
  108. "Structural and Vibrational Analysis of Azodendrimers by Molecular Orbital Methods,"
    S. Tanaka, S. Itoh, N. Kurita,
    Chemical Physics Letters, 2000, 323, 407-415.
  109. "Correlated Ab Initio Molecular Orbital (MP3, MP4) and Density Functional (PW91, MPW91) Studies on the Conformations of 1,2-diphenylethane,"
    N. Kurita, P.M. Ivanov,
    J. Molecular Structure, 2000, 554, 183-190.
  110. "Density Functional MO Calculations for Stacked DNA Base-pairs with Backbones,"
    N. Kurita, K. Kobayashi,
    Computers & Chemistry, 2000, 24, 351-357.
  111. "Density Functional Study for Stacking Energy of Cytosine Dimer: Ab Initio MO Calculations Based on Slater-type Basis-set,"
    N. Kurita, M. Araki, K. Kobayashi, K. Nakao,
    International Journal of Quantum Chemistry, 2000, 76, 677-685.
  112. "Molecular Orbital Calculations on Electronic Properties and Lithium Storage of Substituted Disordered Carbons,"
    N. Kurita,
    Molec. Cryst. & Liq. Cryst., 2000, 340, 413-418.
  113. "Lithium Intercalation into BCN Alloy Derived from Prydine-borane Complex,"
    M. Sasaki, Y. Goto, M. Inagaki, N. Kurita,
    Molec. Cryst. & Liq. Cryst., 2000, 340, 499-504.
  114. "Molecular Orbital Calculations on Lithium Absorption to Boron or Nitrogen Substituted Disordered Carbon,"
    N. Kurita,
    Carbon, 2000, 38(1), 65-75.
  115. "Efficiency of MO Method using Slater-type Basis-set and Non-local Density Functional Formalism for Describing DNA Base Stacking Energy,"
    N. Kurita, M. Araki, K. Kobayashi, K. Nakao,
    Chemical Physics Letters, 1999, 313, 693-700.
  116. "Efficient, Direct Self-consistent-field Method in Density Functional Theory,"
    K. Kobayashi, K. Tago, N. Kurita,
    Physical Review, 1996, A53, 1903-1906.
  117. "Stable Structures and Electronic Properties of C70 and Seven Isomers of C80,"
    M. Fujita, N. Kurita, K. Nakao,
    Synthetic Metals, 1995, 70, 1509-1510.
  118. "Force-constant Model of a Fullerene Based on a First-principle Method and the Bond-population Analysis : Applications to C60 and C70,"
    D. Inomata, N. Kurita, S. Suzuki, K. Nakao,
    Physical Review, 1995, B51, 4533-4540.
  119. "Ab-initio Molecular Orbital Calculation for C70 and Seven Isomers of C80,"
    K. Nakao, N. Kurita, M. Fujita,
    Physical Review, 1994, B49, 11415-11420.
  120. "Stability of Boron and Nitrogen Substituted Buckminsterfullerene,"
    D. Inomata, N. Kurita, M. Fujita, S. Suzuki, K. Nakao,
    Trans. Mat. Res. Soc. Jpn, 1993, 14B, 1231-1234.
  121. "Bonding and Electronic Properties of Substituted Fullerenes C58B2, C58N2 and C58BN,"
    N. Kurita, K. Kobayashi, H. Kumahora, K. Tago,
    Fullerene Science and Technology, 1993, 1, 319-328.
  122. "Dependence of Binding Energy on the Number of Atoms for Carbon Fullerenes,"
    N. Kurita, K. Kobayashi, H. Kumahora, K. Tago, K. Ozawa,
    Journal of Physical Society of Japan, 1993, 62, 2279-2284.
  123. "Bonding and Electronic Properties of a Multicomponent Fullerene C12B24N24 by a Non-local-density-functional Calculation,"
    K. Kobayashi, N. Kurita,
    Physical Review Letters, 1993, 70, 3542-3544.
  124. "Bonding and Electronic Properties of Substituted Fullerenes C58B2 and C58N2,"
    N. Kurita, K. Kobayashi, H. Kumahora, K. Tago,
    Physical Review, 1993, B48, 4850-4854.
  125. "Molecular Structures, Binding Energies and Electronic Properties of Dopyballs C59X (X=B, N and S),"
    N. Kurita, K. Kobayashi, H. Kumahora, K. Tago, K. Ozawa,
    Chemical Physics Letters, 1992, 198, 95-99.
  126. "Nonlocal-density-functional Bond-energy Calculations of Cage-shaped Carbon Fullerenes : C32 and C60",
    K. Kobayashi, N. Kurita, H. Kumahora, K. Tago, K. Ozawa,
    Physical Review, 1992, B45, 13690-13693.
  127. "Molecular-bond-energy Calculations Based on the Harris-functional Approximation Coupled with the Generalized-gradient Approximation,"
    K. Kobayashi, N. Kurita, H. Kumahora, K. Tago,
    Physical Review, 1992, B45, 11299-11304.
  128. "Non-local Density Functional Calculations of Binding Energies of Carbon Fullerenes Cn, with n=10, 12, 16, 20, 24, 28, 32, 36, 50, 60, 70, 80, 90, 100, 110 and 120,"
    N. Kurita, K. Kobayashi, H. Kumahora, K. Tago, K. Ozawa,
    Chemical Physics Letters, 1992, 188, 181-186.
  129. "Bond-energy Calculations of Cu2, Ag2, and &nop(CuAg); with the Generalized Gradient Approximation,"
    K. Kobayashi, N. Kurita, H. Kumahora, K. Tago,
    Physical Review, 1991, A43, 5810-5813.
  130. "Band Structures and Physical Properties of Magnetic Layered Semiconductor MPS3,"
    N. Kurita, K. Nakao,
    Journal of the Physical Society of Japan, 1989, 58, 610-621.
  131. "Band Structure of Magnetic Layered Semiconductor NiPS3,"
    N. Kurita, K. Nakao,
    Journal of the Physical Society of Japan, 1989, 58, 232-243.
  132. "Self-consistent Band Structure of Layered Semiconductor ZnPS3,"
    N. Kurita, K. Nakao,
    Journal of the Physical Society of Japan, 1987, 56, 4455-4465.
  133. "Numerical-basis-set LCAO Method Using Gaussian-fitting of Orbitals and Potential,"
    N. Kurita, K. Nakao,
    Journal of the Physical Society of Japan, 1987, 56, 4442-4454.

国内の学術雑誌に発表した論文

  1. "流動層燃焼炉における炉内脱硫特性の理論的考察",
    村上高広,栗田典之,成瀬一郎,
    高温学会誌,2010,36,41-46.
  2. "Fragment MO計算によるAhRとダイオキシン間の特異的相互作用の解析",
    宮城慧, 吉川依里, 出立兼一, 伊藤聡, 石原-菅野美津子, 栗田典之
    J. Comput. Aided Chem., 2009, 10, 63-75.
  3. "分子シミュレーションによるラクトースリプレッサーとLigand及びDNA間の結合特性の解析",
    西川真, 小坂井晋作, 仙石康雄, 栗田典之
    J. Comput. Aided Chem., 2008, 9, 17-29.
  4. "Fragment MO法による分光学的情報の予測精度について",
    仙石康雄, 宮原忍, 若林一, 関野秀男
    J. Comput. Aided Chem., 2007, 8, 85-91.
  5. "細胞シミュレーションによる癌浸潤機構の解析",
    永瀬圭良, 小林浩, 永田昇, 山本史雄, 夏目貴行, 出立兼一, 塚本貴志, 栗田典之
    J. Comput. Aided Chem., 2007, 8, 75-84.
  6. "分子シミュレーションによる核内受容体PPARとプラスチック可塑剤の特異的相互作用の解析",
    岩淵真悟, 中川智彦, 中村春彦, 山口蓉子, 那須民江, 栗田典之
    J. Comput. Aided Chem., 2007, 8, 1-11.
  7. "密度汎関数法によるATP, ADP, AMP, GTP及びMg2+との複合体の電子状態解析",
    高橋聖和, 栗田典之
    J. Comput. Aided Chem., 2006, 7, 178-189.
  8. "密度汎関数法による水和したDNAの電子状態解析: DNA副溝内の水和水がHOMOに与える影響",
    塚本貴志, Y. Ishikawa, 夏目貴行, 出立兼一, M.J. Vilkas, 栗田典之,
    J. Comput. Aided Chem., 2006, 7, 203-213.
  9. "EF-hand型カルシウム結合タンパク質とカルシウムの結合特性の解析:半経験的分子軌道計算"
    岩淵真悟, 小坂井晋作, 栗田典之
    J. Comput. Aided Chem., 2006, 7, 78-86.
  10. "DNA転写活性タンパク質CAPと環状AMPの特異的相互作用の解析:分子力場及び分子軌道計算",
    中村春彦, 薄木 亮, 夏目貴行, 栗田典之,
    J. Comput. Aided Chem., 2005, 6, 67-82.
  11. "癌転移抑制剤の電子状態計算(1):生理的物質ビクニンの化学反応特性解析",
    杉浦史卓, 津村直哉, 小林浩, 栗田典之,
    J. Comput. Aided Chem., 2004, 5, 62-69.
  12. "癌転移抑制剤の電子状態計算(2):ウロキナーゼの化学反応特性解析",
    津村直哉, 杉浦史卓, 小林浩, 栗田典之,
    J. Comput. Aided Chem., 2004, 5, 70-76.
  13. "1重鎖及び2重鎖DNAの電流電圧特性の理論的解析",
    出立兼一, 夏目貴行, 田中成典, 樋口高年, 栗田典之,
    J. Comput. Aided Chem., 2004, 5, 52-61.
  14. "カタボライト活性化タンパク質と環状AMP複合体の構造解析",
    薄木亮, 仙石康雄, 松岡誠, 田中成典, 栗田典之,
    J. Comput. Aided Chem., 2004, 5, 19-25.
  15. "密度汎関数法に基づくフラグメント分子軌道法を用いたDNA電子状態計算",
    仙石康雄, 松岡誠, 杉木真一郎, 田中成典, 栗田典之, 関野秀男,
    J. Comput. Aided Chem., 2004, 5, 1-8.
  16. "DNA鎖の第一原理計算の現状と将来",
    田中成典, 福澤薫, 中野達也, 栗田典之,
    表面科学, 2003, 24, 664-670.
  17. "ラクトースリプレッサーとDNA複合体の結合エネルギー計算",
    松岡誠, 仙石康雄, 栗田典之,
    J. Comput. Aided Chem., 2003, 4, 35-41.
  18. "ミスマッチのあるDNA二重鎖の電子状態計算",
    夏目貴行, 仙石康雄, 栗田典之,
    J. Comput. Aided Chem., 2003, 4, 42-51.
  19. "半経験的分子軌道法による転写活性因子OmpRのDNA結合部位における立体構造と電子状態解析",
    仙石康雄, 栗田典之, 関野秀男,
    J. Comput. Aided Chem., 2002, 3, 124-132.
  20. "分子軌道計算によるBNB置換グラファイトシートの安定構造, 電子状態, Li吸着特性の解析"
    栗田典之, 佐々木眞,
    炭素, 2000, 195, 347-352.
  21. "ホウ素及び窒素置換したグラファイトシートの電子物性とリチウム吸着特性",
    栗田典之, 佐々木眞, 後藤裕介,
    表面, 2000, 38, 10-19.
  22. "ホウ素及び窒素置換炭素材料のリチウム吸着状態に関する分子軌道計算",
    栗田典之,
    炭素, 1998, 185, 266-271.

国際学会における発表

  1. "Molecular dynamics and ab initio FMO calculations on the effect of water molecules on the interactions between androgen receptor and its ligand and cofactor",
    K. Shimamura, H. Ishimura, I. Kobayashi, R. Kadoya, N. Kurita, K. Kawai, M. Takimoto-Kamimura,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  2. "Effect of cofactor-binding on the specific interactions between androgen receptor and its ligand: ab initio molecular simulations",
    I. Kobayashi, K. Shimamura, H. Ishimura, R. Kadoya, N. Kurita, K. Kawai, M. Takimoto-Kamimura,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  3. "Ab initio molecular simulations on the binding properties between mycobacterial FtsZ and its inhibitor",
    M. Fujimori, R. Kadoya, S. Ota, K. Pavel, Y. Blume, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  4. "Ab initio fragment molecular orbital calculations on the specific interactions between amyloid-β peptides in an in vivo amyloid-β fibril",
    H. Ishimura, R. Kadoya, K. Shimamura, S. Ota, M. Fujimori, A. Okamoto, S. Shulga, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  5. "Specific interactions between M. tuberculosis CYP130 and its inhibitors: molecular simulations using ab initio fragment molecular orbital method",
    R. Kadoya, M. Fujimori, R. Takeda, T. Mizushima, P. Kamsri, P. Meewong, P. Pungpo, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  6. "Ab initio molecular simulations on specific interactions between amyloid-β peptide and new curcumin derivatives",
    S. Ota, H. Ishimura, M. Fujimori, S. Shulga, N. Kurita N.
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  7. "Ab initio molecular simulations based on FMO method for proposing potent inhibitors to reverse transcriptase of HIV",
    R. Takeda, R. Kadoya, I. Kobayashi, P. Kamsri, P. Meewong, P. Pungpo, N. Kurita,
    Proceedings of The 2016 International Conference On Advanced Informatics, 2016, Penang, Malaysia, accepted.
  8. "Specific interactions between amyloid-β peptides in three-fold symmetric hexamer: ab initio molecular simulations",
    H. Ishimura, S. Ota, R. Kadoya, and N. Kurita
    CBI Annual Meeting 2015, 2015, October 27-29, Tokyo, Japan.
  9. "Specific interactions between M.tuberculosis CYP130 and econazole derivatives: Molecular docking and ab initio FMO calculations",
    R. Kadoya, R. Takeda, M. Fujimori, H. Ishimura, P. Kamsri, P. Meewong, P. Pungpo and N. Kurita
    CBI Annual Meeting 2015, 2015, October 27-29, Tokyo, Japan.
  10. "Specific Interactions between M. tuberculosis CYP130 and Novel Inhibitors: ab initio Molecular Simulations",
    T. Mizushima, R. Kadoya, P. Kamsri, P. Meewong, P. Pungpo, and N. Kurita
    PACCON 2015(Pure and Applied Chemistry International Conference 2015), 2015, January 21-23, Bangkok, Thailand.
  11. "Designing Novel HIV-1 NNRTIs in a Series of DAPY Derivatives: CoMSIA Study",
    R. Kadoya, T. Suzuki, N. Kurita, P. Kamsri, P. Meewong, and P. Pungpo,
    ANSCSE19, 2015, June 17-19, Ubon Ratchathani, Thailand.
  12. "Specific interactions between diarylpyrimidine derivatives and HIV-1 RT: Molecular docking and ab initio FMO calculations",
    R. Kadoya, T. Mizushima, T. Suzuki, P. Kamsri, P. Meewong, P. Pungpo and N. Kurita,
    PACCON 2015(Pure and Applied Chemistry International Conference 2015), 2015, January 21-23, Bangkok, Thailand.
  13. "Specific interactions between acetyl- and butyryl-cholinesterase and their inhibitors: ab initio molecular simulations",
    T. Suzuki, T. Murakawa, R. Kadoya, M.T.H.Khan, N. Kurita,
    PACCON 2015(Pure and Applied Chemistry International Conference 2015), 2015, January 21-23, Bangkok, Thailand.
  14. "Ab initio molecular simulations for model systems of metal organic frameworks and a proposal of novel organic ligands for MOFs",
    T. Sugimoto, T. Mizushima, A. Okamoto, N. Kurita,
    Materials Today Asia 2014, 2014, December 9-12, Hong Kong, Hong Kong.
  15. " Specific interactions between DNA and regulatory protein controlled by ligand-binding: ab initio molecular simulation ",
    Y. Matsushita, T. Murakawa, K. Shimamura, M. Oishi, T. Ohyama, N. Kurita,
    The Irago Conference2014, 7P-58, 2014, November 6-7, Ibaraki, Japan.
  16. "Structures and electronic properties of metal organic frameworks:DFT and FMO calculations for model systems",
    T. Sugimoto, T. Mizushima, A. Okamoto, N. Kurita,
    WATOC2014, 2014, October 5-10, Santiago, Chile.
  17. "Proposal for novel inhibitors to acetyl- and butyryl-cholinesterases by ab initio molecular simulations",
    T. Murakawa, T. Suzuki, Y. Matsushita, M. T.H.Khan, N. Kurita,
    CBI Annual Meeting 2014, 2014, October 28-30, Tokyo, Japan.
  18. "Replica Exchange MD And Ab Initio FMO Calculations for Searching Stable Conformations of Amyloid-B (1-42) Dimer And (9-42) Dimer",
    A. Okamoto, A. Yano, K. Nomura, N. Kurita,
    WATOC2014, PP412, 2014, October 5-10, Santiago, Chile.
  19. " Transcriptional mechanism controlled by lactose repressor protein and ligand elucidated by classical MD and ab initio MO simulations",
    Y. Matsushita, K. Shimamura, T. Ohyama, N. Kurita,
    WATOC2014, PP522, 2014, October 5-10, Santiago, Chile.
  20. "Stability of full-length amyloid-β (1-42) dimer in solvating water: Replica exchange molecular dynamics and ab initio molecular orbital calculations",
    A. Okamoto, A. Yano, K. Nomura, S. Higai, N. Kurita,
    54th Sanibel Symposium, 2014, Feb. 16-Feb. 21, Georgia, U.S.A.
  21. "Replica exchange MD and ab initio fragment MO calculations on effects of solvating water molecules on stable conformations of amyloid-β dimer",
    A. Okamoto, A. Yano, K. Nomura, S. Higai, N. Kurita,
    3rd International Conference on Molecular Simulation, 3P03, 2013, November 18-20, Kobe, Japan.
  22. "Ab Initio Molecular Simulations for Proposing Peptide Inhibitors to Cancer Invasions",
    T. Mizushima, T. Kasumi, H. Kawano, H. Kobayashi and N. Kurita,
    Pure and Applied Chemistry International Conference 2014, 2014, January 8-10, Khon Kaen, Thailand.
  23. "Ab initio molecular simulations for proposing novel peptide inhibitors blocking the ligand-binding pocket of urokinase receptor";
    T. Mizushima, T. Kasumi, K. Araki, H. Kobayashi and N. Kurita,
    9th European Conference on Computational Chemistry, Oral presentation, 2013, September 1-5, Sopron, Hungary.
  24. "Global search for stable conformation of amyloid-β peptide in explicit water by replica exchange MD simulations combined with ab initio MO method",
    A. Okamoto, A. Yano, K. Nomura, S. Higai and N. Kurita,
    9th European Conference on Computational Chemistry, Poster-44, 2013, September 1-5, Sopron, Hungary.
  25. "Specific interactions and dimerization mechanism between aryl hydrocarbon receptor and co-factor protein: classical MD and ab initio FMO simulations",
    S. Miyagi, K. Murata, M. Ishihara-Sugano, S. Itoh and N. Kurita,
    9th European Conference on Computational Chemistry, Poster-40, 2013, September 1-5, Sopron, Hungary.
  26. "Reaction mechanism of DNA base pair with hydroxyl radical: DFT calculations in vacuum and in water",
    E. Shimizu, R. Hoshino, K. Nomura, V. I. Danilov and N. Kurita,
    9th European Conference on Computational Chemistry, Poster-29, 2013, September 1-5, Sopron, Hungary.
  27. "Specific interactions between lactose repressor protein and DNA: classical MD and ab initio MO calculations",
    Y. Matsushita, T. Ohyama, M. Oishi and N. Kurita,
    VIIIth Congress of the International Society of Theoretical Chemical Physics, Poster-II-38, 2013, August 25-31, Budapest, Hungary.
  28. "Ab initio molecular simulations for proposing potent inhibitors for cancer metastasis blocking the pocket of urokinase receptor"
    T. Kasumi, K. Araki, T. Mizushima, H. Kobayashi, N. Kurita,
    3rd AICS International Symposium, 2013, Feb. 28-Mar. 1, Kobe, Japan.
  29. "DFT study on the tautomeric reactions for wobble Gua-Thy and canonical Gua-Cyt base-pairs",
    K. Nomura, R. Hoshino, Y. Hoshiba, V. I. Danilov, N. Kurita,
    3rd AICS International Symposium, 2013, Feb. 28-Mar. 1, Kobe, Japan.
  30. "Replica exchange molecular dynamics and ab initio MO simulations for searching stable structures of full-length amyloid-β peptide",
    A. Okamoto, K. Nomura, A. Yano, S. Higai, N. Kurita,
    3rd AICS International Symposium, 2013, Feb. 28-Mar. 1, Kobe, Japan.
  31. "Specific interactions between aryl hydrocarbon receptor and co-factor protein: Molecular simulations combined with MD and ab initio FMO methods",
    S. Miyagi, K. Murata, M. Ishihara-Sugano, S. Itoh, N. Kurita,
    53rd Sanibel Symposium, 2013, Feb. 17- Feb. 28, Georgia, U.S.A.
  32. "Stability of full-length amyloid-β (1-42) monomer in water: Replica exchange molecular dynamics and ab initio molecular simulations",
    A. Okamoto, K. Nomura, A. Yano, S. Higai, N. Kurita,
    53rd Sanibel Symposium, 2013, Feb. 17- Feb. 28, Georgia, U.S.A.
  33. "Proposal for an inhibitor of Alzheimer’s disease blocking aggregation of amyloid-β peptides: ab initio molecular simulations",
    A. Okamoto, K. Nomura, A. Yano, S. Higai, T. Kondo, S. Kamba, N. Kurita,
    AP-IRC 2012, 2012, November 15-16, Aichi, Japan.
  34. "A proposal of potent inhibitor for cancer metastasis blocking the pocket of urokinase receptor : ab initio molecular simulations",
    T. Kasumi, K. Araki, T. Mizushima, H. Kobayashi, N. Kurita,
    AP-IRC 2012, 2012, November 15-16, Aichi, Japan.
  35. "Effect of BrU on the isomerization reaction between wobble Gua-Thy and tautomeric Gua-Thy base pairs: ab initio MO calculations",
    K. Nomura, R. Hoshino, Y. Hoshiba, V. I. Danilov, N. Kurita,
    AP-IRC 2012, 2012, November 15-16, Tahara, Japan.
  36. "Ab initio molecular simulations for proposing potent inhibitors of amyloid-β aggregations",
    A. Okamoto, K. Nomura, A. Yano, S. Higai, T. Kondo, S.Kamba, N. Kurita,
    TACC-2012, 2012, September 2-7, Pavia, Italy.
  37. "Ab initio molecular simulations on specific interactions between amyloid-β and sugars: a proposal of novel sugars applicable to biosensors for Alzheimer’s disease ",
    K. Nomura, A. Okamoto, A. Yano, S. Higai, T. Kondo, S.Kamba, N. Kurita,
    TACC-2012, 2012, September 2-7, Pavia, Italy.
  38. "Specific interactions between transcriptional regulatory protein and DNA: molecular simulations combined with MD and ab initio FMO methods",
    T. Ohyama, K. Nomura, N. Noriyuki,
    2nd AICS International Symposium, 2012, March 1-2, Kobe, Japan.
  39. "Specific interactions between aryl hydrocarbon receptor and dioxin congeners: molecular simulations combined with MD and ab initio FMO methods",
    S. Miyagi, S. Sawamura, K. Sashino, K. Murata, M. Ishihara-Sugano, S. Itoh, N. Noriyuki,
    2nd AICS International Symposium, 2012, March 1-2, Kobe, Japan.
  40. "Global search for the binding-sites of dipeptide ligands on metalloprotease: molecular simulations combined with ligand-docking, MM and FMO methods",
    S. Fujita, T. Hirakawa, T. Okada, M. T. H. Khan, I. Sylte, N. Noriyuki,
    2nd AICS International Symposium, 2012, March 1-2, Kobe, Japan.
  41. "Molecular dynamics and molecular orbital simulations on specific interactions between Aryl hydrocarbon receptor and dioxin congeners",
    S. Miyagi, S. Sawamura, K. Sashino, K. Murata, M. Ishihara-Sugano, S. Itoh, N. Noriyuki,
    52nd Sanibel Symposium, 2012, Feb. 19- Feb. 24, Georgia, U.S.A.
  42. "Analysis of specific interactions between transcriptional regulatory protein and DNA: molecular simulations combined with MD and ab initio FMO methods",
    T. Ohyama, K. Nomura, N. Kurita,
    52nd Sanibel Symposium, 2012, Feb. 19- Feb. 24, Georgia, U.S.A.
  43. "AhRとダイオキシン類の特異的相互作用の解析-分子シミュレーションによるアプローチ-",
    宮城慧, 澤村聡視, 佐篠和哉, 石原-菅野美津子, 伊藤聡, 栗田典之,
    CBI/JSBi2011, 2011, November 8-10, Kobe, Japan.
  44. "Effect of amino-acid mutation on specific interactions between AhR and dioxin: fragment molecular orbital calculations",
    S. Sawamura, S. Miyagi, K. Sashino, M. Ishihara-Sugano, S. Itoh, N. Kurita,
    CBI/JSBi2011, 2011, November 8-10, Kobe, Japan.
  45. "Specific interactions between AhR and ligands : abinito molecular simluation and biological expriment"
    K. Sashino, S. Sawamura, S. Miyagi, M. Ishihara-Sugano, S. Itoh, N. Kurita,
    CBI/JSBi2011, 2011, November 8-10, Kobe, Japan.
  46. "Specific interactions between urokinase-type plasminogen activator and its receptor : fragment molecular orbital calculations"
    T. Kasumi, K. Araki, S. Tsuji, H. Kobayashi, N. Kurita,
    CBI/JSBi2011, 2011, November 8-10, Kobe, Japan.
  47. "A combined Green’s function and density-functional study of electrical conductivity of artificial DNA duplexes",
    A. Okamoto, Y. Maeda, T. Tsukamoto, Y. Ishikawa, N. Kurita,
    WATOC 2011, 2011, July 17-22, Compostela, Spain.
  48. "Allosteric effect on specific interaction between LacR and DNA induced by ligand-binding to LacR: molecular simulations combined with molecular dynamics and ab initio fragment molecular orbital methods"
    T. Ohyama, M. Hayakawa, S. Nishikawa, N. Kurita,
    51st Sanibel Symposium, 2011, Feb. 25- March 1, Georgia, U.S.A.
  49. "Specific interactions and binding free energies between thermolysin and dipeptide-like molecules: ab initio fragment MO calculations",
    T. Hirakawa, S. Fujita, K. Dedachi, M.T.H. Khan, I. Sylte, N. Kurita,
    CBI Annual Meeting 2010, 2010, September 15-17, Tokyo, Japan.
  50. "Effect of amino-acid mutation on specific interactions between AhR and dioxin: fragment molecular orbital calculations and reportor gene assay",
    S. Sawamura, S. Miyagi, S. Itoh, M. Ishihara, N. Kurita,
    CBI Annual Meeting 2010, 2010, September 15-17, Tokyo, Japan.
  51. "Molecular simulations of electrical conducting properties of artificial DNA duplexes using nonequilibrium Green's function coupled with DFT",
    A. Okamoto, T. Tsukamoto, Y. Maeda, Y. Ishikawa, N. Kurita,
    CBI Annual Meeting 2010, 2010, September 15-17, Tokyo, Japan.
  52. "Specific interactions between urokinase-type plasminogen activator and its receptor: fragment molecular orbital calculations",
    S. Tsuji, K. Nagase, K. Dedachi, H. Kobayashi, N. Kurita,
    CBI Annual Meeting 2010, 2010, September 15-17, Tokyo, Japan.
  53. "Specific interactions between aryl hydrocarbon receptor and dioxine: fragment molecular orbital calculations",
    S. Miyagi, E. Yoshikawa, K. Dedachi, S. Itoh, M. Ishihara, N. Kurita,
    CBI Annual Meeting 2010, 2010, September 15-17, Tokyo, Japan.
  54. "Specific interactions between lactose repressor protein and DNA affected by ligand binding: ab initio fragment molecular orbital calculations",
    T. Ohyama, M. Hayakawa, S. Nishikawa, N. Kurita,
    CBI Annual Meeting 2010, 2010, September 15-17, Tokyo, Japan.
  55. "Binding free energies between thermolysin and dipeptide ligands obtained by molecular simulations based on ab initio MO and classical vibrational methods",
    K. Dedachi, M.T.H. Khan, I. Sylte, N. Kurita,
    CBI-KSBSB Joint Conference BIOINFO 2009, 2009, November 4-7, Busan, Korea.
  56. "Specific interactions between aryl hydrocarbon receptor AhR and dioxins:ab initio fragment molecular orbital study",
    E. Yoshikawa, S. Miyagi, K. Dedachi, M. Ishihara-Sugano, S. Itoh, N. Kurita,
    CBI-KSBSB Joint Conference BIOINFO 2009, 2009, November 4-7, Busan, Korea.
  57. "Fragment MO calculations on specific interactions between AhR and TCDD for beluga and tern",
    S. Miyagi, E. Yoshikawa, K. Dedachi, S. Itoh, M. Ishihara-Sugano, N. Kurita,
    CBI-KSBSB Joint Conference BIOINFO 2009, 2009, November 4-7, Busan, Korea.
  58. "Electrical conducting properties of artificial DNA duplexes composed of nucleobase derivatives: Green’s function study based on DFT",
    T. Tsukamoto, Y. Ishikawa, A. Okamoto, N. Kurita,
    CBI-KSBSB Joint Conference BIOINFO 2009, 2009, November 4-7, Busan, Korea.
  59. "Molecular simulations and Green's function studies on charge conducting properties of DNA+Au electrode system",
    T. Tsukamoto, Y. Ishikawa, H. Wakabayashi, Y. Sengoku, N. Kurita,
    International Symposium on Frontiers of Computational Science 2008, 2008, November. 27-29, Nagoya, Japan.
  60. "Ab initio Fragment Molecular Orbital Studies on Specific Interactions between Aryl Hydrocarbon Receptor and Halogenated Aromatic Hydrocarbons",
    E. Yoshikawa, S. Miyagi, K. Dedachi, M. Sugano, S. Itoh, N. Kurita,
    International Symposium on Pathway/Network to Disease and Drug Discovery Specially Focused on Nuclear Receptors and Metabolic Syndrome , 2008, October. 22-24, Tokyo, Japan.
  61. "Molecular Mechanics and Fragment Molecular Orbital calculations on Specific Interactions between Thermolysin and Dipeptide Ligands",
    K. Dedachi, M. T. H. Khan, I. Sylteb, N. Kurita,
    International Symposium on Pathway/Network to Disease and Drug Discovery Specially Focused on Nuclear Receptors and Metabolic Syndrome , 2008, October. 22-24, Tokyo, Japan.
  62. "Hole-transfer Mechanism in Hydrated DNA Duplexes: Direct Ab Initio Molecular Dynamics Simulation",
    H. Wakabayashi, Y. Ishikawa, T. Tsukamoto, N. Kurita,
    PRiME 2008 214th Meeting of ECS, 2008, October. 13, Honolulu, HI, USA.
  63. "DFT Study on Charge Conductivity of the DNA Duplex and Au Electrodes System",
    T. Tsukamoto, Y. Ishikawa, H. Wakabayashi, Y. Sengoku, N. Kurita,
    The World Association of Theoretical and Computational Chemists (WATOC), 2008, September 14-19, Sydney, Australia.
  64. "DFT Study on Charge Conductivity of DNA-Wrapped Carbon Nanotubes",
    N. Kurita, I. Komura, T. Tsukamoto, Y. Ishikawa,
    The World Association of Theoretical and Computational Chemists (WATOC), 2008, September 14-19, Sydney, Australia.
  65. "Specific Interactions between Thermolysin and Dipeptide Ligands Obtained by Fragment Molecular Orbital Calculations",
    N. Kurita, K. Dedachi, M. T. H. Khan, I. Sylte,
    The World Association of Theoretical and Computational Chemists (WATOC), 2008, September 14-19, Sydney, Australia.
  66. "DFT and Green's function study on charge conductivity of hydrated DNA duplexes",
    T. Tsukamoto, Y. Ishikawa, H. Wakabayashi, Y. Sengoku, N. Kurita,
    AMMA Young Modellers' Forum, 2008, September 14-19, Sydney, Australia.
  67. "Molecular mechanics and molecular orbital calculations on specific interaction between aryl hydrocarbon receptor and dioxin TCDD",
    N. Kurita, S. Kozakai, T. Nakagawa, S. Nishikawa, M. Hayakawa, Y. Yamaguchi and T. Nakajima,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  68. "Molecular mechanics and molecular orbital simulations on specific interactions between uPA and its receptor",
    K. Nagase, E. Yoshikawa, H. Kobayashi and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  69. "A combined molecular dynamics/Green function study of the structure and conductivity of hydrated DNA duplexes",
    T. Tsukamoto, Y. Ishikawa, H. Wakabayashi, Y. Sengoku and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  70. "Specific interactions between lactose repressor protein and its inducer and anti-inducer molecules as well as DNA: molecular mechanics and molecular orbital simulations",
    T. Ohyama, S. Nishikawa, Y. Sengoku and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  71. "Molecular mechanics and molecular orbital simulations on specific interactions between thermolysin and dipeptide ligands",
    K. Dedachi, M. T. H. Khanb, I. Sylteb and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  72. "Specific interaction between peroxisome proliferator-activated receptor and ligand: molecular simulations based on molecular mechanics and molecular orbital methods",
    M. Hayakawa, Y. Yamaguchi, S. Iwabuchi, T. Nakagawa, T. Nakajima and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  73. "DFT calculations and charge conductive analysis for the double strands composed of DNA and artificial nucleic acids",
    Y. Murayama, T. Natsumea, Y. Ishikawab, E. B. Starikov, T. Tsukamoto and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  74. "Direct ab initio molecular dynamics study of the charge transfer in hydrated DNA duplexes",
    H. Wakabayashi, Y. Ishikawa, T. Tsukamoto and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  75. "DFT and ab initio MD studies on the mechanism of radical oxidation for hydrated 2-deoxyguanosine",
    K. Hayano, Y. Ishikawa, H. Wakabayashi and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  76. "DFT and charge conductive simulations for DNA-wrapped carbon nanotubes",
    I. Komura, Y. Ishikawa, T. Tsukamoto and N. Kurita,
    International Symposium on Multi-scale Simulations of Biological and Soft Materials , 2008, June. 18-20, Tokyo, Japan.
  77. "DFT-MD study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex",
    T. Tsukamoto, Y. Ishikawa, T. Natsume, K. Dedachi and N. Kurita,
    Current Density Functional Theory, 2007, Sept. 19-22, Tromso, Norway.
  78. "Mechanisms of Mutagenic Action of 5BrU: DFT and MP2 Studies",
    N. Kurita,V. I. Danilov, V. M. Anisimov, D. Hovorun, T. Nakatsu, K. Dedachi,
    The 12th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, 2007, Aug. 26-30, Amsterdam, The Netherlands.
  79. "Effect of base mismatch on the electronic properties of DNA-DNA and LNA-DNA double-strands by DFT calculations",
    T. Natsume, Y. Ishikawa, K. dedachi, T. Tsukamoto, N. Kurita,
    The 12th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, 2007, Aug. 26-30, Amsterdam, The Netherlands.
  80. "MP2, DFT and ONIOM calculations on the structures and electronic properties of hydrated RNA base and base pair",
    K. Dedachi, Y. Ishikawa, T. Natsume, T. Tsukamoto, N. Kurita,
    The 12th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, 2007, Aug. 26-30, Amsterdam, The Netherlands.
  81. "Electronic properties of solvated duplex DNAs by DFT calculations",
    T. Tsukamoto, Y. Ishikawa, M.J. Vilkas, T. Natsume, K. Dedachi, N. Kurita,
    The 4th International Conference of Computational Methods in Sciences and Engineering, 2006, October 27-31, Crete, Greece.
  82. "Specific interactions between Ca and calcium binding protein: semiempirical molecular orbital calculations",
    S. Iwabuchi, S. Kozakai, N. Kurita,
    The 6th European Conference on Computational Chemistry, 2006, September 3-7, Tale, Central Slovakia.
  83. "DFT study on electronic properties of hydrated DNA: effect of water molecules hydrating minor groove of DNA",
    T. Tsukamoto, Y. Ishikawa, T. Natsume, K. Dedachi, N. Kurita,
    The 6th European Conference on Computational Chemistry, 2006, September 3-7, Tale, Central Slovakia.
  84. "Density functional study on hydrated duplex DNA: effect of water molecules on HOMO distribution of DNA,"
    T. Tsukamoto, Y. Ishikawa, T. Natsume, K. Dedachi, N. Kurita,
    The XIIth International Congress of Quantum Chemistry, 2006, May 21-26, Kyoto, Japan.
  85. "Specific interactions between Ca and calcium binding protein: semiempirical molecular orbital calculations,"
    S. Iwabuchi, S. Kozakai, N. Kurita,
    The XIIth International Congress of Quantum Chemistry, 2006, May 21-26, Kyoto, Japan.
  86. "Electronic and charge-transfer properties of single- and double-strand DNAs obtained by density functional method,"
    K. Dedachi, T. Natsume, T. Nakatsu, Y. Ishikawa, N. Kurita,
    The XIIth International Congress of Quantum Chemistry, 2006, May 21-26, Kyoto, Japan.
  87. "Electronic properties of DNA-DNA and PNA-DNA by DFT Method with Gaussian and Numerical Basis-sets,"
    T. Natsume, Y. Ishikawa, K. Dedachi, T. Tsukamoto, N. Kurita
    The XIIth International Congress of Quantum Chemistry, 2006, May 21-26, Kyoto, Japan.
  88. "Structures and electronic properties of berberine alkaloid obtained by MP2 and DFT methods,"
    N. Kurita, V.I. Danilov, V. Dailidonis, D. Hovorun, A.I. Potopalsky, L.A. Zaika,
    The XIIth International Congress of Quantum Chemistry, 2006, May 21-26, Kyoto, Japan.
  89. "MP2 study on structures and electronic properties of DNA base-pairs contaning 5-bromouracil,"
    N. Kurita, V.I. Danilov, D. Hovorun, V. Anisimov,
    The XIIth International Congress of Quantum Chemistry, 2006, May 21-26, Kyoto, Japan.
  90. "Structures and electronic properties of lactose repressor protein: molecular dynamics, molecular orbital and charge equilibration calculations,"
    N. Kurita, S. Nishikawa, M. Matsuoka, Y. Sengoku,
    10th Molecular Modelling Workshop MM2006, 2006, April 19-22, Perth, Australia.
  91. "Charge transfer in Single- and Double-strand DNAs: Molecular Simulations Based on Molecular Orbital Method,"
    K. Dedachi, T. Natsume, T. Nakatsu, Y. Ishikawa, N. Kurita,
    2006 Sanibel Symposium, 2006, Feb. 25- March 2, Georgia, U.S.A.
  92. "Electronic Properties of DNA-DNA, PNA-DNA and PNA-PNA Double Strands by DFT Calculations,"
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    2006 Sanibel Symposium, 2006, Feb. 25- March 2, Georgia, U.S.A.
  93. "Nonplanar Structures and Stability of Canonical and Tautomerized DNA Base Pairs Obtained by Ab Initio Molecular Orbital Calculations,"
    N. Kurita, V. Danilov, V. Anisimov, D. Hovorun,
    International Symposium on Frontiers of Computational Science 2005, 2005, December 12-13, Nagoya, Japan.
  94. "Charge Transfer in Single- and Double-strand DNAs: Theoretical Analysis Based on Molecular Orbital Method,"
    K. Dedachi, T. Natsume, T. Nakatsu, N. Kurita,
    International Symposium on Frontiers of Computational Science 2005, 2005, December 12-13, Nagoya, Japan.
  95. "Density Functional Molecular Orbital Calculations on DNA-DNA, PNA-DNA and PNA-PNA Double Strands,"
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    International Symposium on Frontiers of Computational Science 2005, 2005, December 12-13, Nagoya, Japan.
  96. "Non-empirical Studies of the DNA Rare Base Pairs: the Molecular Mechanism of the Spontaneous Substitution Mutations Conditioned by Tautomerism of Bases,"
    N. Kurita, V.I. Danilov, V.M. Anisimov, D. Hovorun,
    Albany 2005: The 14th Conversation, 2005, June 14-18, Albany, U.S.A.
  97. "Structures and electronic properties of monomer, dimer and tetramer of lactose repressor protein: molecular mechanics, molecular dynamics, molecular orbital and charge equilibration calculations,"
    N. Kurita, M. Matsuoka, Y. Sengoku,
    Modeling Interactions in Biomolecules II, 2005, Sept. 5-9, Prague, Czech.
  98. "Density functional molecular orbital calculations on the stability of hydrogen-bonded 4-hydroxyazobenzene dimers,"
    N. Kurita, S. Nebashi, M. Kojima,
    The 11th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, 2005, Sept. 11-15, Geneva, Switzerland.
  99. "Quantum Chemical Program Development Based on Fragment Molecular Orbital Theory,"
    H. Sekino, H. Sawada, S. Sugiki, N. Kurita,
    Theory and Applications of Computational Chemistry, 2004, Feb.15-20,
    Gyeongju, Korea.
  100. "DFT Calculations on DNA Base-stacking Interactions,"
    N. Kurita, H. Inoue, H. Sekino,
    Theory and Applications of Computational Chemistry, 2004, Feb.15-20,
    Gyeongju, Korea.
  101. "Development of Fragment Molecular Orbital Method Based on DFT and Its Applications to DNA-binding Proteins,"
    N. Kurita, Y. Sengoku, M. Matsuoka, S. Sugiki, T. Ogawa, R. Usuki, H. Sekino,
    The 5th European Conference on Computational Chemistry, 2004, June 15-20,
    La Londe les Maures, France.
  102. "Development of Fragment Molecular Orbital Method Based on DFT and Its Applications to DNA-binding Proteins,"
    N. Kurita, Y. Sengoku, M. Matsuoka, S. Sugiki, T. Ogawa, R. Usuki, H. Sekino,
    The 5th European Conference on Computational Chemistry, 2004, June 15-20,
    La Londe les Maures, France.
  103. "Development of Fragment Molecular Orbital Method Based on DFT and Its Applications to DNA-binding Proteins,"
    N. Kurita, Y. Sengoku, M. Matsuoka, S. Sugiki, T. Ogawa, R. Usuki, H. Sekino,
    The 5th European Conference on Computational Chemistry, 2004, June 15-20,
    La Londe les Maures, France.
  104. "Development of Fragment Molecular Orbital Method Based on DFT and Its Applications to DNA-binding Proteins,"
    N. Kurita, Y. Sengoku, M. Matsuoka, S. Sugiki, T. Ogawa, R. Usuki, H. Sekino,
    Towards Accurate Calculation of Biomolecular Recognition and Reactivity, 2004, Sept. 7-10, Manchester, U. K.
  105. "Theoretical Investigation on the Specific Interaction of Gene Active Protein Using Fragment MO Method,"
    S. Sugiki, N. Kurita, H. Sekino, S. Tanaka,
    The 1st Asian Pacific Conference on Theoretical & Computational Chemistry, 2004, May 12-15, Okazaki, Japan.
  106. "Electronic Properties of DNA by the DFT Based on Fragment Molecular Orbital Method,"
    Y. Sengoku, M. Matsuoka, S. Sugiki, S. Tanaka, N. Kurita, H. Sekino,
    The 1st Asian Pacific Conference on Theoretical & Computational Chemistry, 2004, May 12-15, Okazaki, Japan.
  107. "Charge Distributions in Protein by Charge Equilibration Method,"
    T. Ogawa, N. Kurita, H. Sekino, O. Kitao, S. Tanaka,
    The 1st Asian Pacific Conference on Theoretical & Computational Chemistry, 2004, May 12-15, Okazaki, Japan.
  108. "Semiempirical Molecular Orbital Calculations for Double-strand DNA and its Base-mismatched Ones,"
    T. Natsume, K. Dedachi, Y. Sengoku, S. Tanaka, N. Kurita,
    The 1st Asian Pacific Conference on Theoretical & Computational Chemistry, 2004, May 12-15, Okazaki, Japan.
  109. "Specific Interaction between Lactose Repressor Protein and DNA: Density Functional MO Calculations,"
    M. Matsuoka, Y. Sengoku, H. Sekino, N. Kurita,
    The 1st Asian Pacific Conference on Theoretical & Computational Chemistry, 2004, May 12-15, Okazaki, Japan.
  110. "Stable Structure for the Complex of Catabolite Activator Protein and Cyclic AMP: Classical Molecular Mechanics Optimization by AMBER Force Field,"
    R. Usuki, Y. Sengoku, M. Matsuoka, S. Tanaka, N. Kurita,
    The 1st Asian Pacific Conference on Theoretical & Computational Chemistry, 2004, May 12-15, Okazaki, Japan.
  111. "DNA Base-stacking and Hydrogen-bonding Interactions by Adjusted Density Functional Method,"
    N. Kurita, H. Inoue, H. Sekino,
    The 10th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, 2003, p146, Brussels, Belgium.
  112. "Adjustment of Perdew-Wang exchange functional for describing the van der Waals interaction between rare-gas atoms,"
    N. Kurita, H. Inoue, H. Sekino,
    The 42nd Sanibel Symposium, 2002, Florida, U.S.A
  113. "Molecular Dynamics Simulations of Effect of Alkali Metal Compounds on Limestone Calcinations in Desulfurization Process,"
    I. Naruse, T. Murakami, N. Kurita,
    Proc. of the 4th Seminar of JSPS-MOE Core University Program on Urban Environment, 2002,78-88.
  114. "Molecular Orbital Calculations on Morphology-dependence of Structural and Vibrational Properties of Azobenzene-containing Dendrimers",
    N. Kurita, S. Tanaka, S. Itoh,
    Computational Science Workshop 2001, P27, Tsukuba, Japan.
  115. "Ab Initio and DFT Studies for Accurate Description of Van der Waals Interaction Between Rare-gas Atoms,"
    N. Kurita, H. Sekino,
    The 9th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, 2001, p146, Madrid, Spain.
  116. "Molecular Orbital Calculations on the Effect of Atom-substitutions into Disordered Carbons on Their Electronic and Li-adsorption Properties,"
    N. Kurita, M. Endo,
    International Symposium on Nano Carbons, 2001, Nagano, Japan.
  117. "Molecular Dynamics Simulations of Effect of Sodium Chloride into Calcium Oxide on Desulfurization Characteristics,"
    T. Murakami, N. Kurita, I. Naruse,
    Proc. of the 11th International Conference Coal Science, Seminar, 2001.
  118. "Structural and Vibrational Analysis of Azodendrimers by Molecular Orbital Methods",
    S. Tanaka, S. Itoh, N. Kurita,
    International Symposium on Photoreaction Control and Photofunctional Materials, 2000, p282-283, Tsukuba, Japan.
  119. "Density Functional MO calculations for Stacked DNA Base-pairs with Backbones,"
    N. Kurita, K. Kobayashi,
    The 5-th International Conference of Computers in Chemistry ’99, 1999, p43, Poland,
  120. "Efficiency of MO Method Using Slater-type Basis-set and Non-local Density Functional Formalism for Describing DNA Base Stacking Energy,"
    N. Kurita, M. Araki, K. Nakao, K. Kobayashi,
    The 8th Conference on Current Trends in Computational Chemistry, 1999, p67-84, Vicksburg, USA.
  121. "Density Functional MO Calculations for Hydrogen-bonding and Stacking Interactions,"
    N. Kurita,
    The 8th Conference on Current Trends in Computational Chemistry, 1999, p66, Vicksburg, USA.
  122. "Lithium Intercalation into BCN Alloy Derived from Prydine-borane Complex,"
    M. Sasaki, Y. Goto, M. Inagaki, N. Kurita,
    The 10th International Symposium on Intercalation Compounds, 1999, p92, Okazaki, Japan.
  123. "Molecular Orbital Calculations on Electronic Properties and Lithium Storage of Substituted Disordered Carbons,"
    N. Kurita,
    The 10th International Symposium on Intercalation Compounds, 1999, p68, Okazaki, Japan.
  124. "Efficiency of MO Method Using Slater-type Basis-set and Non-local Density Functional Formalism to Describe Stacking in Cytosine Dimer,"
    N. Kurita, M. Araki, K. Kobayashi, K. Nakao,
    Proceedings of the 34th Symposium for Theoretical Chemistry, 1998, P85, Gwatt-Zentrum, Switzerland.
  125. "Molecular Structures and Electronic Properties of Dopyballs C60-nXn (X=B,N and S),"
    N. Kurita, K. Kobayashi, K. Tago,
    The Fall Meeting of Material Research Society, 1992, Boston, USA.

国内学会における発表

  1. "Specific interactions between M.tuberculosis CYP130 and econazole derivatives: Molecular docking and ab initio FMO calculations",
    Ryushi Kadoya, Ryosuke Takeda, Mitsuki Fujimori, Hiromi Ishimura, Pharit Kamsri, Pijittra Meewong, Pornpan Pungpo and Noriyuki Kurita
    CBI年会, 2015, 2015年10月27-29日,東京都.
  2. "レプリカ交換 MD 及びフラグメント MO 計算によるアミロイド β ダイマーの水中での安定構造の探索",
    石村大海,岡本晃澄,矢野篤志,栗田典之,
    第52回生物物理学会年会, 3P034, 2014, 北海道.
  3. "ラジカルによるDNA塩基対の異性化反応の解析:真空中及び水中での密度汎関数計算",
    奥津尚子,玉井秀明,清水栄佑,栗田典之,
    第37回情報化学討論会, P19, 2014, 愛知県.
  4. "密度汎関数法によるDNA塩基対とラジカルの反応機構の解析",
    奥津尚子,玉井秀明,清水栄佑,栗田典之,
    第52回生物物理学会年会, 2P121, 2014, 北海道.
  5. "ラクトースリプレッサーとDNA複合体へのアロステリック効果の解析:古典MD及びab initioフラグメントMO計算",
    松下祐貴,島村香菜子,大石叡人,大山達也,栗田典之,
    第37回情報化学討論会, P12, 2014, 愛知県.
  6. "分子シミュレーションによるラクトースリプレッサーの転写制御機構のモデル提案",
    松下祐貴,島村香菜子,大石叡人,大山達也,栗田典之,
    第52回生物物理学会年会, 1P026, 2014, 北海道.
  7. "リガンド結合によるラクトースリプレッサー二量体とDNA間の特異的相互作用の変化機構の解明:古典MD及びフラグメントMO計算",
    松下祐貴,島村香菜子,大石叡人,大山達也,栗田典之,
    第8回分子科学討論会, 2P121, 2014, 広島県.
  8. "密度汎関数法及びフラグメントMO法による多孔性金属錯体の安定性の解析",
    杉本拓也,水島達朗,岡本晃澄,栗田典之,
    第37回情報化学討論会, 2014, 愛知県.
  9. "分子シミュレーションによる多孔性金属錯体を安定化させる新規有機配位子の提案",
    杉本拓也,水島達朗,岡本晃澄,栗田典之,
    第8回分子科学討論会, 2014, 広島県.
  10. "分解酵素ブチリルコリンエステラーゼに対する新規阻害剤の提案:Ab initioフラグメントMO計算",
    村川孟, 鈴木智也, M.T.H.Khan, 栗田典之,
    第37回情報化学討論会, P14, 2014, 愛知県.
  11. "第一原理フラグメント分子軌道法によるブチリルコリンエステラーゼと阻害剤間の特異的相互作用の解析",
    村川孟, 鈴木智也, M.T.H.Khan, 栗田典之,
    第52回生物物理学会年会, 2P029, 2014, 北海道.
  12. "アミロイドβ二量体の水中での安定配座探索:レプリカ交換MD及びab initioフラグメントMO計算",
    岡本晃澄, 石村大海, 矢野篤志, 野村和哉, 栗田典之,
    第37回情報化学討論会, O09, 2014, 愛知県.
  13. "レプリカ交換MD及びab initioフラグメントMO計算を用いたアミロイドβ(1-42)二量体及び(9-42)二量体の水中での安定配座探索",
    岡本晃澄, 石村大海, 矢野篤志, 野村和哉, 栗田典之,
    第8回分子科学討論会, 2P118, 2014, 広島県.
  14. "アセチルコリンエステラーゼと阻害剤間の特異的相互作用:フラグメント分子軌道計算と生化学実験",
    村川孟, 岡田翼, Mahmud Khan, 栗田典之,
    第7回分子科学討論会, 4P081, 2013, 京都府.
  15. "がん細胞受容体に特異的に結合する新規ペプチドの提案とその結合特性:リガンドドッキングプログラム及びフラグメント分子軌道計算による解析",
    水島達朗, 川野裕章, 霞知世, 小林浩, 栗田典之,
    第7回分子科学討論会, 4P082, 2013, 京都府.
  16. "ラクトースリプレッサー二量体とDNA間の特異的相互作用:分子動力学計算及び第一原理フラグメント分子軌道計算を用いた解析",
    松下祐貴, 大石叡人, 大山達也, 栗田典之,
    第7回分子科学討論会, 4P083, 2013, 京都府.
  17. "DNA塩基対とラジカルとの反応機構に関する密度汎関数計算",
    清水栄佑, 奥津尚子, 徳山雄生, 栗田典之,
    第7回分子科学討論会, 4P085, 2013, 京都府.
  18. "芳香族炭化水素受容体と外来性及び内在性リガ ンド間の特異的相互作用:分子シミュレーション及び生化学実験の比較",
    宮城慧, 村田享士郎, 佐篠和哉, 澤村聡視,伊藤聡, 石原-菅野 美津子, 栗田典之,
    第7回分子科学討論会, 2P087, 2013, 京都府.
  19. "レプリカ交換MD及びAb initioフラグメントMO計算を用いたアミロイドβ二量体の水中での安定配座探索",
    岡本晃澄, 矢野篤志, 野村和哉, 檜貝信一,栗田典之,
    第7回分子科学討論会, 2P132, 2013, 京都府.
  20. "アミロイドβタンパク質のC末端残基が二量体形成に与える影響:古典MD及びAb initioフラグメントMO法を用いた解析",
    矢野篤志, 岡本晃澄, 野村和哉, 檜貝信一,栗田典之,
    第7回分子科学討論会, 2P133, 2013, 京都府.
  21. "第一原理分子シミュレーションによる多孔性金属錯体の特性解析",
    杉本拓也, 岡本晃澄, 矢野篤志, 檜貝信一, 若岡拓生, 栗田典之,
    第7回分子科学討論会, 2P134, 2013, 京都府.
  22. "高精度分子シミュレーションによるDNA二重鎖の電気伝導度を向上させる新規人工核酸塩基の提案",
    清水栄佑, 岡本晃澄, 前田躍, 干場靖浩, Ishikawa Yasuyuki , 栗田典之,
    電気関係学会東海支部連合大会, 2012, 愛知県.
  23. "高精度分子シミュレーションによる様々な単一分子の電気伝導特性の解析",
    徳山雄生, 浜田勝光, 前田躍, 干場靖浩, Ishikawa Yasuyuki , 栗田典之,
    電気関係学会東海支部連合大会, 2012, 愛知県.
  24. "分子シミュレーションによる燃料電池の白金電極表面での窒素の反応機構の解析
    星野良太, 干場靖浩, 前田躍, Ishikawa Yasuyuki , 栗田典之,
    電気関係学会東海支部連合大会, 2012, 愛知県.
  25. "分子シミュレーションによる転写制御タンパク質ラクトースリプレッサー二量体とDNA間の特異的相互作用の解析"
    大山達也, 松下祐貴, 栗田典之,
    第6回分子科学討論会, 2012, 東京都.
  26. "分子動力学計算による芳香族炭化水素受容体とその共役因子の複合体の安定構造の探索
    宮城慧,佐篠和哉,村田享士郎,伊藤聡,石原-菅野美津子,栗田典之
    第6回分子科学討論会, 2012, 東京都.
  27. "分子シミュレーションによるアミロイドβタンパク質とその凝集抑制剤間の特異的結合特性の解析"
    岡本晃澄, 野村和哉, 矢野篤志, 檜貝信一,近藤孝志,神波誠治, 栗田典之,
    第6回分子科学討論会, 2012, 東京都.
  28. "第一原理分子軌道計算によるDNA塩基対の異性化反応の遷移状態の探索"
    野村和哉, 干場靖浩, Victor I. Danilov, 栗田典之,
    第6回分子科学討論会, 2012, 東京都.
  29. "分子シミュレーションによるアミロイドβタンパク質AβのC末端変化に伴う Aβ間の相互作用変化の解析"
    矢野篤志,岡本晃澄,野村和哉,檜貝信一,近藤孝志,神波誠治,栗田典之,
    第6回分子科学討論会, 2012, 東京都.
  30. "分子シミュレーションによる芳香族炭化水素受容体へのリガンドの安定結合配置の探索"
    村田享士郎,宮城慧,佐篠和哉,澤村聡視,伊藤聡,石原-菅野美津子,栗田典之
    第6回分子科学討論会, 2012, 東京都.
  31. "アミロイドβタンパク質とその凝集抑制剤間の特異的結合特性:高精度分子シミュレーションを用いた解析",
    岡本晃澄, 野村和哉, 矢野篤志, 檜貝信一, 近藤孝志, 神波誠治, 三浦佳子, 栗田典之,
    神戸大学先端融合科学シンポジウム, 2012, 兵庫県.
  32. "様々な糖とアミロイドβタンパク質間の特異的結合特性:高精度分子シミュレーションを用いた解析 ",
    野村和哉, 岡本晃澄, 矢野篤志, 檜貝信一, 近藤孝志, 神波誠治, 三浦佳子, 栗田典之,
    神戸大学先端融合科学シンポジウム, 2012, 兵庫県.
  33. "MD及びFMO 計算による転写制御タンパク質とDNA 間の特異的相互作用の解析",
    大山達也,野村和哉,栗田典之,
    第25回分子シミュレーション討論会, 2011, 東京都.
  34. "金属プロテアーゼサーモライシンの機能抑制剤の提案:古典分子力場及びフラグメント分子軌道計算",
    平川達也,藤田聖也,M. T. H. Khan,I. Sylte,栗田典之,
    第25回分子シミュレーション討論会, 2011, 東京都.
  35. "アミロイドβタンパク質とトリアジン誘導体間の特異的結合特性の解析:古典分子力学及びフラグメント分子軌道計算",
    岡本晃澄,野村和哉,矢野篤志,檜貝信一,近藤孝志,神波誠治,三浦佳子,栗田典之,
    第25回分子シミュレーション討論会, 2011, 東京都.
  36. "アミロイドβタンパク質と単糖間の特異的結合特性の解析:古典分子力学及びフラグメント分子軌道計算",
    野村和哉,岡本晃澄,矢野篤志,檜貝信一,近藤孝志,神波誠治,三浦佳子,栗田典之,
    第25回分子シミュレーション討論会, 2011, 東京都.
  37. "密度汎関数法による人工核酸塩基を含むDNA2重鎖の電気伝導特性の解析",
    岡本晃澄, 前田躍, 干場靖浩, 清水栄佑, Y. Ishikawa, 栗田典之,
    第5回分子科学討論会, 2011, 北海道.
  38. "分子シミュレーションによる芳香族炭化水素受容体とダイオキシン類間の特異的相互作用の解析",
    宮城慧,澤村聡視,佐篠和哉,村田享士郎,石原-菅野美津子,伊藤聡,栗田典之,
    第5回分子科学討論会, 2011, 北海道.
  39. "分子シミュレーションによるアロステリックタンパク質とDNA間の特異的相互作用の解析",
    大山達也, 野村和哉, 栗田典之,
    第5回分子科学討論会, 2011, 北海道.
  40. "金属プロテアーゼThermolysinとその阻害剤間の特異的相互作用の理論的解析",
    藤田聖也,出立兼一,平川達也,大山達也,Sylte Ingebrigt,Khan Mahmud,栗田典之,
    第4回分子科学討論会, 2010, 大阪府.
  41. "低分子の電気伝導特性に関する理論的研究",
    浜田勝光,福岡昭一,干場靖浩,前田躍,塚本貴志,Y. Ishikawa,栗田典之,
    第4回分子科学討論会, 2010, 大阪府.
  42. "第一原理分子シミュレーションによるDNA二重鎖の電気伝導特性の解析",
    前田躍,塚本貴志,岡本晃澄,干場靖浩,Y. Ishikawa,栗田典之,
    第4回分子科学討論会, 2010, 大阪府.
  43. "第一原理分子動力学計算による燃料電池の電極表面でのアンモニアの酸化反応機構の解析",
    干場靖浩,前田躍,塚本貴志,Y. Ishikawa,栗田典之,
    第4回分子科学討論会, 2010, 大阪府.
  44. "分子シミュレーションによるカーボンナノチューブと多環芳香族アンモニウム誘導体の複合体の電気伝導特性の解析",
    福岡昭一,前田躍,塚本貴志,早野薫,香村郁代,栗田典之,
    第4回分子科学討論会, 2010, 大阪府.
  45. "カーボンナノチューブと一重鎖DNA,RNA及び人工核酸の複合体の特性解析",
    前田躍,福岡昭一,香村郁予,塚本貴志,Y. Ishikawa,栗田典之,
    第23回分子シミュレーション討論会, 2009, 愛知県.
  46. "DNA と人工バックボーンを持つ核酸から成る二重鎖の電子状態及び電気伝導特性の解析",
    岡本晃澄,村山陽平,塚本貴志,Y. Ishikawa,栗田典之,
    第23回分子シミュレーション討論会, 2009, 愛知県.
  47. "量子輸送理論に基づく金電極間の人工核酸塩基を含むDNA 二重鎖の電気伝導特性の解析",
    塚本貴志,Y. Ishikawa,岡本晃澄,栗田典之,
    第23回分子シミュレーション討論会, 2009, 愛知県.
  48. "分子シミュレーションによる金属プロテアーゼとリガンド間の特異的相互作用の解析",
    出立兼一, M. T. H. Khan, I. Sylte, 栗田典之,
    第3回分子科学討論会, 2009, 愛知県.
  49. "フラグメント分子軌道計算による癌転移抑制剤とその受容体との特異的相互作用の解析",
    辻真吾, 出立兼一, 永瀬圭良, 小林浩, 栗田典之,
    第3回分子科学討論会, 2009, 愛知県.
  50. "転写制御タンパク質ラクトースリプレッサーとリガンド及びDNAとの特異的相互作用に関する高精度分子シミュレーション",
    大山達也, 西川真, 栗田典之,
    第3回分子科学討論会, 2009, 愛知県.
  51. "高精度分子シミュレーションによるAhRとダイオキシンの複合体の構造決定及び特異的相互作用の解析",
    宮城慧, 吉川依里, 出立兼一, 伊藤聡, 石原-菅野美津子, 栗田典之,
    第3回分子科学討論会, 2009, 愛知県.
  52. "分子シミュレーションによるカーボンナノチューブと多環芳香族アンモニウム誘導体の複合体の電子状態及び電気伝導特性の解析",
    福岡昭一, 塚本貴志, 早野薫, 香村郁代, 栗田典之,
    第3回分子科学討論会, 2009, 愛知県.
  53. "フラグメント分子軌道法による芳香族炭化水素受容体と内分泌攪乱物質間の特異的相互作用の解析",
    吉川依里, 宮城慧, 出立兼一, 石原-菅野美津子, 伊藤聡, 栗田典之,
    第3回分子科学討論会, 2009, 愛知県.
  54. "第一原理分子動力学計算による水和したDNA二重鎖中の電荷移動機構の解析",
    若林一, 塚本貴志, 栗田典之, Y. Ishikawa,
    計算科学研究センター・ワークショップ2009, 2009, 愛知県.
  55. "密度汎関数法に基づく金電極間のDNA二重鎖の電気伝導特性の解析",
    塚本貴志, 若林一, 仙石康雄, 栗田典之,
    計算科学研究センター・ワークショップ2009, 2009, 愛知県.
  56. "分子シミュレーションによるサーモリシンとリガンド間の特異的相互作用の解析",
    出立兼一, 栗田典之, M. T. H. Khan, I. Sylte
    計算科学研究センター・ワークショップ2009, 2009, 愛知県.
  57. "第一原理分子動力学法によるDNA2重鎖中の電荷移動機構の解析",
    若林一, Yasuyuki Ishikawa, 塚本貴志, 栗田典之,
    The 22nd MSSJ Annual Meeting, 2008
  58. "MD及びDFT計算によるDNA二重鎖の水和構造とその電子状態の解析",
    塚本貴志, Y. Ishikawa, 夏目貴行, 出立兼一, 栗田典之,
    第10回理論化学討論会, 2007, 愛知県.
  59. "密度汎関数によるミスマッチのあるLNA-DNA 二重鎖の電子状態解析",
    夏目貴行, Y. Ishikawa, 出立兼一, 塚本貴志, 栗田典之,
    第10回理論化学討論会, 2007, 愛知県.
  60. "MP2, DFT 及びONIOM 法を用いたウラシル塩基の水和構造の解析",
    出立兼一, 中津泰輔, 夏目貴行, 塚本貴志, Y. Ishikawa, 栗田典之,
    第10回理論化学討論会, 2007, 愛知県.
  61. "水和したDNA二重鎖に対する密度汎関数計算: DNA副溝内に水素結合した水和水の影響",
    塚本貴志, 夏目貴行, 出立兼一, 香村郁予, Y. Ishikawa, M. J. Vilkas, 栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  62. "密度汎関数法によるDNA塩基対の水和構造と電子状態の解析",
    香村郁予, 塚本貴志, 夏目貴行, 出立兼一, Y. Ishikawa, 栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  63. "分子シミュレーションによるEF-hand型カルシウム結合蛋白質の特性解析",
    小坂井晋作,岩淵真悟,栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  64. "DFT 法によるハロゲンウラシルとDNA 塩基間の結合エネルギー計算",
    中津泰輔,出立兼一,夏目貴行,塚本貴志,栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  65. "分子シミュレーションによる核内受容体PPAR とリガンドの特異的相互作用の解析",
    山口蓉子, 岩淵真悟, 中村春彦, 中川智彦, 那須民江, 栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  66. "密度汎関数法によるDNA 類似核酸から成る二重鎖の電子状態解析",
    夏目貴行, Y. Ishikawa, 出立兼一, 塚本貴志, 栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  67. "分子シミュレーションによる核内受容体PPAR と内分泌撹乱物質の特異的相互作用の解析",
    岩淵真悟, 山口蓉子, 中村春彦, 中川智彦, 那須民江, 栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  68. "カルシウム結合タンパク質ファミリーの電子状態解析",
    岩淵真悟栗田典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  69. "ATP等の電子状態解析",
    高橋聖和栗田典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  70. "ラクトースリプレッサーと誘導物質との特異的相互作用の解析",
    西川真栗田典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  71. "キメラ蛋白質とuPARの電子状態計算",
    杉浦史卓,津村直哉,山本史雄,栗田典之,小林浩,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  72. "キメラ蛋白質(癌転移抑制剤)の安定構造と電子状態の解析",
    津村直哉,杉浦史卓,山本史雄,近藤鋭治,石田裕一,小林浩,栗田典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  73. "DNA-DNA, PNA-DNA, PNA-PNA二重鎖の電子状態解析",
    夏目貴行,石川泰丁,出立兼一,中津泰輔,栗田 典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  74. "DNA転写活性タンパク質CAPと環状AMPの特異的相互作用の解析",
    中村春彦,薄木亮,夏目貴行,栗田典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  75. "電場を考慮したDNAの電気伝導特性の解析",
    出立兼一,夏目貴行,中津泰輔,栗田典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  76. "ミスマッチのあるDNA二重鎖の電子状態と電流電圧特性の解析",
    夏目貴行, 出立兼一, 田中成典, 栗田典之,
    分子構造総合討論会2004, 2004, 広島県.
  77. "癌転移抑制剤の電子状態計算(2):ウロキナーゼの特性解析",
    津村直哉, 杉浦史卓, 小林浩, 栗田典之,
    分子構造総合討論会2004, 2004, 広島県.
  78. "癌転移抑制剤の電子状態計算(1):生理的物質ビクニンの特性解析",
    杉浦史卓, 津村直哉, 小林浩, 栗田典之,
    分子構造総合討論会2004, 2004, 広島県.
  79. "1重鎖及び2重鎖DNAの構造と電子物性の理論的解析",
    出立兼一, 夏目貴行, 田中成典, 栗田典之,
    分子構造総合討論会2004, 2004, 広島県.
  80. "密度汎関数法によるラクトースリプレッサーとDNA間の特異的相互作用の解析",
    松岡誠, 仙石康雄, 関野秀男, 栗田典之,
    分子構造総合討論会2004, 2004, 広島県.
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