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OHNUKI Jun  大貫 隼

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大貫 隼  オオヌキ ジュン

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Researcher Number 90777989
Other IDs
Affiliation (Current) 2025: 分子科学研究所, 理論・計算分子科学研究領域, 助教
Affiliation (based on the past Project Information) *help 2023: 分子科学研究所, 理論・計算分子科学研究領域, 助教
Review Section/Research Field
Principal Investigator
Basic Section 43040:Biophysics-related
Keywords
Principal Investigator
機械学習 / 遷移経路 / 分子動力学シミュレーション / 蛋白質構造変化 / 反応座標
  • Research Projects

    (1 results)
  • Research Products

    (7 results)
  •  蛋白質サイズの大規模構造遷移に適用可能な反応座標推定法の開発Principal Investigator

    • Principal Investigator
      大貫 隼
    • Project Period (FY)
      2023 – 2025
    • Research Category
      Grant-in-Aid for Early-Career Scientists
    • Review Section
      Basic Section 43040:Biophysics-related
    • Research Institution
      Institute for Molecular Science

All 2024 2023

All Journal Article Presentation Book

  • [Book] 月刊「細胞」2024年4月号 ライフサイエンス分野におけるAI解析「分子シミュレーション×AlphaFold2でトランスポータータンパク質の未解明構造を明らかにする」2024

    • Author(s)
      大貫 隼
    • Total Pages
      3
    • Publisher
      ニューサイエンス社
    • Data Source
      KAKENHI-PROJECT-23K14160
  • [Journal Article] Accelerated Molecular Dynamics and AlphaFold Uncover a Missing Conformational State of Transporter Protein OxlT2024

    • Author(s)
      Ohnuki Jun、Jaunet-Lahary Titouan、Yamashita Atsuko、Okazaki Kei-ichi
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 15 Issue: 3 Pages: 725-732

    • DOI

      10.1021/acs.jpclett.3c03052

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23K14160, KAKENHI-PROJECT-23K23858
  • [Presentation] Integration of AlphaFold with Molecular Dynamics to Uncover Missing Conformational States of Transporter Proteins2024

    • Author(s)
      Jun Ohnuki
    • Organizer
      International Conference on Theoretical and High Performance Computational Chemistry 2024
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-23K14160
  • [Presentation] Resolving Unknown Conformational State of Oxalate Transporter by Combination of Molecular Dynamics Simulation and AlphaFold22023

    • Author(s)
      Jun Ohnuki、Kei-ichi Okazaki
    • Organizer
      第23回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PROJECT-23K14160
  • [Presentation] Accelerated Molecular Dynamics and AlphaFold Discover a Conformational State of Transporter Protein OxlT2023

    • Author(s)
      Jun Ohnuki、Kei-ichi Okazaki
    • Organizer
      第61回日本生物物理学会年会
    • Data Source
      KAKENHI-PROJECT-23K14160
  • [Presentation] Accelerated MDとAlphaFoldによるトランスポーター蛋白質の構造状態探索2023

    • Author(s)
      大貫 隼
    • Organizer
      計算タンパク質科学研究会 2023
    • Data Source
      KAKENHI-PROJECT-23K14160
  • [Presentation] Accelerated MD法とAlphaFoldによるトランスポーターの未解明構造探索2023

    • Author(s)
      大貫 隼
    • Organizer
      第4回生体分子シミュレーション・モデリング研究会
    • Data Source
      KAKENHI-PROJECT-23K14160

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