Scholarly achievement/Papers

  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-硫 peptides in an in vivo amyloid-硫 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-硫 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 硫-Sectretase and its inhibitors for the treatment of Alzheimers 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-硫 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. Kov叩ov叩, N. Kurita,
    Current Topics in Medicinal Chemistry, 2014, in press.
  18. "Molecular simulations on specific interactions between 硫-Secretase and its inhibitors for the treatment of Alzheimers 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 硫-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-硫 (142) and (143) 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-硫 (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-硫 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: Greens 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 PPAR留 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/Greens 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)-硫 and subsequently suppresses TGF-硫 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-硫1-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.
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