門谷隆史

arrow_blank.PNG 石村大海
所属豊橋技術科学大学
知能・情報工学専攻
学年修士2年
E-mail
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研究テーマ

フラグメント分子軌道法を用いたタンパク質とリガンド間の特異的結合特性の解析

研究業績

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 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 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.
  9. "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.
  10. "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.

国内の学術雑誌に発表した論文

...No achievement found.

国際学会における発表

  1. "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.
  2. "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.
  3. "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.
  4. "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.

国内学会における発表

...No achievement found.

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