Scholarly achievement/Conference

  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-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.
  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-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.
  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-硫 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-硫 (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-硫 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-硫 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-硫 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-硫 (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 Alzheimers 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,
    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-硫 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-硫 and sugars: a proposal of novel sugars applicable to biosensors for Alzheimers 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ゃ激渇合亥娯篏茹f-絖激ャ若激с潟≪若-",
    , 羮ゆ∴, 篏膀, 喝-臂羇ュ, 篌よ, 医娯,
    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 Greens 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: Greens 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鐚N and S),"
    N. Kurita, K. Kobayashi, K. Tago,
    The Fall Meeting of Material Research Society, 1992, Boston, USA.
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