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Ikeguchi Mitsunori  池口 満徳

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… Alternative Names

IKEGUCHI Mitsunori  池口 満徳

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Researcher Number 60261955
Other IDs
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Affiliation (Current) 2025: 横浜市立大学, 生命医科学研究科, 教授
2025: 国立研究開発法人理化学研究所, 計算科学研究センター, ユニットリーダー
Affiliation (based on the past Project Information) *help 2018 – 2022: 横浜市立大学, 生命医科学研究科, 教授
2014 – 2015: 横浜市立大学, 生命医科学研究科, 教授
2013: 横浜市立大学, 生命医科学研究科, 准教授
2012: 横浜市立大学, 大学院・生命ナノシステム科学研究科, 准教授
2009 – 2012: Yokohama City University, 生命ナノシステム科学研究科, 准教授 … More
2010: 横浜市立大学, 大学院・生命ナノシステム科学研究所, 准教授
2008 – 2010: 横浜市立大学, 大学院・生命ナノシステム科学研究科, 准教授
2007 – 2008: 横浜市立大学, 国際総合科学研究科, 准教授
2007: Yokohama City University, 大学院・ 国際総合科学研究科, 准教授
2007: 横浜市立大学, 大学院・国際総合科学研究科, 准教授
2006: 横浜市立大学, 大学院・国際総合科学研究科, 準教授
2005 – 2006: 横浜市立大学, 大学院国際総合科学研究科, 準教授
2004: Yokohama City University, Graduate School of Integrated Sciences, Professor, 大学院総合理学研究科, 助教授
2001 – 2004: 横浜市立大学, 大学院・総合理学研究科, 助教授
1998 – 2000: 東京大学, 大学院・農学生命科学研究科, 助手 Less
Review Section/Research Field
Principal Investigator
Complex systems / Biological Sciences / Biophysics / Bioinformatics/Life informatics / Science and Engineering / Biophysics
Except Principal Investigator
Biological Sciences / 計算機科学 / Physical chemistry / Structural biochemistry / Bioinformatics/Life informatics
Keywords
Principal Investigator
分子動力学 / 分子シミュレーション / 蛋白質 / F1-ATPase / バイオインフォマティクス / 分子モーター / 水のエントロピー / Swi5/Sfr1 / RecA/Rad51/RadA / 相同組換え … More / ATP加水分解酵素 / Pループ / 並列計算 / 分子認識 / NMR計測 / タンパク質構造 / NMR解析 / 構造ダイナミクス / 発動分子 / NMR / 分子動力学シミュレーション / 回転機構 / V1-ATPase / マルチスケールシミュレーション / V型ATPase / アルギニンフィンガー / Pループ / 立体構造変化 / Sfr1 / Swi5 / RadA / Rad51 / RecA / P-loop / 膜蛋白質 / 遷移状態 / 剛体分子動力学 / 線形応答理論 / 構造変化 / Trp Cage / アンフォールディング / 水チャネル / 膜タンパク質 / アクアポリン / PhoB / DNA結合タンパク質 / αラクトアルブミン / フォールディング / タンパク質 / 立体構造 / 拡張アンサンブル法 / 自由エネルギー計算 / データベース / モノヌクレオチド / 構造機能相関 / 並列計算環境 / 大規模並列計算機 / 分子動力学法 / 尿素 / 変性剤 / 疎水性相互作用 / 疎水効果 … More
Except Principal Investigator
molecular dynamics / 分子動力学シミュレーション / 分子シミュレーション / ダイナミクス / computational chemistry / scheduling / processor allocation / parallel programming environment / parallel computing / 科学技術計算 / 大規模並列計算機 / 計算化学 / 分子動力学計算 / スケジューリング / プロセッサ割当て / MPI / 並列プログラミング環境 / 並列計算 / シミュレーション / 分子動力学 / 分子動力学法 / アクアポリン / 計算物理学 / 生物物理 / 蛋白質 / principal component / mode coupling / normal modes / diffusion / vibration / anharmonic motions / protein dynamics / 多様体 / 主成分解析 / 非線型振動 / 基準振動モード / タンパク質ダイナミクス / 粗視化 / 立体構造変化 / 回転緩和運動 / 拡散運動 / 振動エネルギー緩和 / 非調和運動 / タンパク質 / aquaporin / molecular dynamics simulation / linear response theory / probabilistic alignment / neutron scattering / protein function / protein structure / protein complex / イムノグロブリン / 糖 / モノヌクレオチド / 結合部位 / 構造変化 / NMR / 線形応答 / 構造予測 / 分子機能 / 立体構造 / ダイナミックプログラミング / 確率的アライメント法 / ダイナミクプログラミング / タンパク質複合体 / 分子動力学計 / 線形応答理論 / 確率的アラインメント法 / 中性子散乱 / タンパク質機能 / タンパク質立体構造 / タンパク合体 / MP1 / エネルギー最小化計算 / 分子動力学シュミレーション / 動的資源管理 / MPI (Message Passing Interface) / スレープ方式 / マスタ / 大規模並列システム / 空間分割法 / DNA修復 / メディエーター / DNA 修復 / 相同組換え / 核内輸送 / X線小角散乱 / タンパク質のダイナミクス / タンパク質の揺らぎ / 核膜孔 / X線結晶構造解析 / 転写因子 / 核内輸送受容体 / 軌道解析技術 / スーパーコンピュータ / IP_3受容体 / Transducer / Sensory Rhodosin II / IP3受容体 / HAMPドメイン / HtrII複合体 / SRII / 膜タンパク質 / ローダミン蛍光分子 / ATP加水分解 / F1-ATP合成酵素 / ハイブリッドQM / 分子軌道法 / 酵素設計 / 自由エネルギー計算 / QM/MM法 / F_1-ATPase / MM法 / QM / 酵素反応 / 分子モーター / 変異型 / 水透過係数 / 分子シュミレーション / 複合体 / トランスデューサ / フォボロドプシン / 膜蛋白質 Less
  • Research Projects

    (20 results)
  • Research Products

    (297 results)
  • Co-Researchers

    (27 People)
  •  Structural dynamics research on the functions of biological molecular enginesPrincipal Investigator

    • Principal Investigator
      Ikeguchi Mitsunori
    • Project Period (FY)
      2018 – 2022
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Complex systems
    • Research Institution
      Yokohama City University
  •  Molecular simulation study on the rotation mechanism of V-ATPasePrincipal Investigator

    • Principal Investigator
      IKEGUCHI Mitsunori
    • Project Period (FY)
      2013 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Biophysics
    • Research Institution
      Yokohama City University
  •  Pループ型ATP加水分解酵素の機能発現機構の解明Principal Investigator

    • Principal Investigator
      池口 満徳
    • Project Period (FY)
      2011 – 2012
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Complex systems
    • Research Institution
      Yokohama City University
  •  Structure-function relationships of Rad51-Swi5-Sfr1 complex for homologous recombination

    • Principal Investigator
      KUWABARA Naoyuki
    • Project Period (FY)
      2011 – 2012
    • Research Category
      Grant-in-Aid for Young Scientists (B)
    • Research Field
      Structural biochemistry
    • Research Institution
      High Energy Accelerator Research Organization
      The University of Tokyo
  •  Study on rotation mechanisms of F1 molecular motor using molecular simulationsPrincipal Investigator

    • Principal Investigator
      IKEGUCHI Mitsunori
    • Project Period (FY)
      2010 – 2012
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Bioinformatics/Life informatics
    • Research Institution
      Yokohama City University
  •  Pループ型ATP加水分解酵素の機能発現機構の解明Principal Investigator

    • Principal Investigator
      池口 満徳
    • Project Period (FY)
      2009 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Complex systems
    • Research Institution
      Yokohama City University
  •  トランスポーチンによるタンパク質の核内輸送の構造生物学

    • Principal Investigator
      SATO Mamoru
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Biological Sciences
    • Research Institution
      Yokohama City University
  •  分子シミュレーションによる膜タンパク質の機能的ダイナミクスの研究

    • Principal Investigator
      木寺 詔紀
    • Project Period (FY)
      2007 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Biological Sciences
    • Research Institution
      Yokohama City University
  •  Protein folding simulation on the large scale computer system

    • Principal Investigator
      OTA Motonori
    • Project Period (FY)
      2007 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Bioinformatics/Life informatics
    • Research Institution
      Nagoya University
      Tokyo Institute of Technology
  •  Molecular mechanism of chemical-mechanical energy conversion of F1 molecular motor studied by molecular simulations

    • Principal Investigator
      HAYASHI Shigehiko
    • Project Period (FY)
      2006 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Biological Sciences
    • Research Institution
      Kyoto University
  •  分子シミュレーションによる膜タンパク質の機能的ダイナミクスの研究

    • Principal Investigator
      木寺 詔紀
    • Project Period (FY)
      2005 – 2006
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Biological Sciences
    • Research Institution
      Yokohama City University
  •  分子シミュレーションによる蛋白質フォールディング・分子認識機構の解明Principal Investigator

    • Principal Investigator
      池口 満徳
    • Project Period (FY)
      2003 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Yokohama City University
  •  Study of Vibrational Energy Transfer in Proteins

    • Principal Investigator
      KIDERA Akinori
    • Project Period (FY)
      2002 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Yokohama City University
  •  蛋白質化学機能の立体構造からの第一原理的予測法の開発Principal Investigator

    • Principal Investigator
      池口 満徳
    • Project Period (FY)
      2001
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (C)
    • Review Section
      Biological Sciences
    • Research Institution
      Yokohama City University
  •  Prediction of structure and function of protein complexes

    • Principal Investigator
      KIDERA Akinori
    • Project Period (FY)
      2001 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Biological Sciences
    • Research Institution
      Yokohama City University
  •  蛋白質化学機能の立体構造からの第一原理的予測法の開発Principal Investigator

    • Principal Investigator
      池口 満徳
    • Project Period (FY)
      2000
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (C)
    • Review Section
      Biological Sciences
    • Research Institution
      The University of Tokyo
  •  蛋白質のレアイベントに対する準平衡論的分子シミュレーション法の開発Principal Investigator

    • Principal Investigator
      池口 満徳
    • Project Period (FY)
      2000 – 2001
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Biophysics
    • Research Institution
      Yokohama City University
      The University of Tokyo
  •  Development of a Parallel Programming Environment with Dynamic Resource Management Facilities

    • Principal Investigator
      SHIMIZU Kentaro
    • Project Period (FY)
      1999 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      計算機科学
    • Research Institution
      THE UNIVERSITY OF TOKYO
  •  蛋白質の安定性・折れたたみ機構における水・変性剤の分子メカニズムPrincipal Investigator

    • Principal Investigator
      池口 満徳
    • Project Period (FY)
      1998
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Research Institution
      The University of Tokyo
  •  Efficient Processor Allocation Policies for Massively Parallel Systems

    • Principal Investigator
      SHIMIZU Kentaro
    • Project Period (FY)
      1998 – 2000
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      計算機科学
    • Research Institution
      THE UNIVERSITY OF TOKYO

All 2022 2021 2020 2019 2018 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Book

  • [Book] Integrative Structural Biology with Hybrid Methods, chapter 15, Hybrid Methods for Modeling Protein Structures Using Molecular Dynamics Simulations and Small-Angle X-Ray Scattering Data2019

    • Author(s)
      Toru Ekimoto, Mitsunori Ikeguchi
    • Total Pages
      22
    • Publisher
      Springer
    • ISBN
      9789811321993
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Book] 全原子分子動力学計算が解き明かす回転分子モーターの作用機構.1分子ナノバイオ計測2014

    • Author(s)
      伊藤祐子、池口満徳
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Book] Molecular dynamics simulations of F1-ATPase, in Protein Conformational Dynamics2014

    • Author(s)
      Y. Ito and M. Ikeguchi
    • Publisher
      Springer
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Book] Experimental and simulation studies of the folding/unfolding of goat α-lactoalbumin, in Water and Biomolecules : Physical Chemistry of Life Phenomena2009

    • Author(s)
      K. Kuwajima, T. Oroguchi, T. Nakamura, M. Ikeguchi, A. Kidera
    • Total Pages
      24
    • Publisher
      Springer Verlag
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Book] Springer Verlag2009

    • Author(s)
      K.Kuwajima, T.Oroguchi, T.Nakamura, M.Ikeguchi, A.Kidera
    • Total Pages
      24
    • Publisher
      Experimental and simulation studies of the folding/unfolding of goat α-lactoalbumin, in Water and Biomolecules: Physical Chemistry of Life Phenomena
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Book] 化学同人2008

    • Author(s)
      池口満徳
    • Total Pages
      6
    • Publisher
      最新分子マシンナノで働く"高度な機械"を目指を目指して水を輸送する分子マシンアクアポリンの分子シミュレーション
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Book] 最新分子マシン ナノで働く"高度な機械"を目指して-水を輸送する分子マシン アクアポリンの分子シミュレーション2008

    • Author(s)
      池口満徳
    • Total Pages
      6
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Book] 最新分子マシン ナノで働く"高度な機械"を目指して水を輸送する分子マシンアクアポリンの分子シミュレーション2008

    • Author(s)
      池口 満聴
    • Total Pages
      1456
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Book] 最新分子マシンナノで働く″高度な機械″を目指して水を輸送する分子マシン アクアポリンの分子シミュレーション2008

    • Author(s)
      池口満徳
    • Total Pages
      6
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Book] タンパク質科学〜構造・物性・機能〜第5章 ダイナミクス(2)構造ダイナミクスの理論とシミュレーション2005

    • Author(s)
      木寺詔紀, 池口満徳
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Mandibulofacial dysostosis with alopecia results from ETAR gain-of-function mutations via allosteric effects on ligand binding2022

    • Author(s)
      Yukiko Kurihara,1 Toru Ekimoto, Christopher T. Gordon, Yasunobu Uchijima, Ryo Sugiyama, Taro Kitazawa, Akiyasu Iwase, Risa Kotani, Rieko Asai, Veronique Pingault, Mitsunori Ikeguchi, Jeanne Amiel, and Hiroki Kurihara
    • Journal Title

      The Journal of Clinical Investigation

      Volume: 133(4) Issue: 4 Pages: 1-13

    • DOI

      10.1172/jci151536

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K19519, KAKENHI-PROJECT-22K20917, KAKENHI-PROJECT-19H01048, KAKENHI-PLANNED-18H05426
  • [Journal Article] Supramolecular Mechanosensitive Potassium Channel Formed by Fluorinated Amphiphilic Cyclophane2022

    • Author(s)
      Sato Kohei、Sasaki Ryo、Matsuda Ryoto、Nakagawa Mayuko、Ekimoto Toru、Yamane Tsutomu、Ikeguchi Mitsunori、Tabata Kazuhito V.、Noji Hiroyuki、Kinbara Kazushi
    • Journal Title

      Journal of the American Chemical Society

      Volume: 144 Issue: 26 Pages: 11802-11809

    • DOI

      10.1021/jacs.2c04118

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21H05872, KAKENHI-PROJECT-21K14670, KAKENHI-PLANNED-18H05426, KAKENHI-ORGANIZER-18H05418
  • [Journal Article] 3D-RISM-AI: A Machine Learning Approach to Predict Protein-Ligand Binding Affinity Using 3D-RISM2022

    • Author(s)
      Kazu Osaki, Toru Ekimoto, Tsutomu Yamane, Mitsunori Ikeguchi
    • Journal Title

      J.Phys. Chem. B.

      Volume: 126 Issue: 33 Pages: 6148-6158

    • DOI

      10.1021/acs.jpcb.2c03384

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Journal Article] Development of the force field for cyclosporine A2022

    • Author(s)
      Tsutomu Yamane, Toru Ekimoto, Mitsunori Ikeguchi
    • Journal Title

      Biophysics and Physicobiology

      Volume: 19 Issue: 0 Pages: n/a

    • DOI

      10.2142/biophysico.bppb-v19.0045

    • ISSN
      2189-4779
    • Language
      English
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Journal Article] Hybrid in vitro/in silico analysis of low-affinity protein-protein interactions that regulate signal transduction by Sema6D2022

    • Author(s)
      Tanaka Tsubasa、Ekimoto Toru、Nagatomo Meri、Neyazaki Makiko、Shimoji Erena、Yamane Tsutomu、Kanagawa Sakura、Oi Rika、Mihara Emiko、Takagi Junichi、Akashi Satoko、Ikeguchi Mitsunori、Nogi Terukazu
    • Journal Title

      Protein Science

      Volume: 31 Issue: 11

    • DOI

      10.1002/pro.4452

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K19236, KAKENHI-PROJECT-20H00455, KAKENHI-PROJECT-19H03170, KAKENHI-PLANNED-18H05426, KAKENHI-PLANNED-19H05774, KAKENHI-PROJECT-23K23825
  • [Journal Article] Structure of SARS-CoV-2 membrane protein essential for virus assembly2022

    • Author(s)
      Zhang Zhikuan、Nomura Norimichi、Muramoto Yukiko、Ekimoto Toru、Uemura Tomoko、Liu Kehong、Yui Moeko、Kono Nozomu、Aoki Junken、Ikeguchi Mitsunori、Noda Takeshi、Iwata So、Ohto Umeharu、Shimizu Toshiyuki
    • Journal Title

      Nature Communications

      Volume: 13 Issue: 1 Pages: 4399-4399

    • DOI

      10.1038/s41467-022-32019-3

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-22K07086, KAKENHI-PROJECT-21K19327, KAKENHI-PROJECT-22K15046, KAKENHI-PROJECT-19H00923, KAKENHI-PROJECT-21K19207, KAKENHI-PLANNED-18H05426, KAKENHI-PUBLICLY-21H00228, KAKENHI-PROJECT-23K23820, KAKENHI-PLANNED-19H05777, KAKENHI-PROJECT-20H03380
  • [Journal Article] Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion2021

    • Author(s)
      Risako Tamura-Sakaguchi, Rie Aruga, Mika Hirose, Toru Ekimoto, Takuya Miyake, Yohei Hizukuri, Rika Oi, Mika K Kaneko, Yukinari Kato, Yoshinori Akiyama, Mitsunori Ikeguchi, Kenji Iwasaki, Terukazu Nogi
    • Journal Title

      Acta Crystallogr D Struct Biol

      Volume: 77 Issue: 5 Pages: 645-662

    • DOI

      10.1107/s2059798321002527

    • NAID

      120007032351

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-19K06562, KAKENHI-PROJECT-19H03170
  • [Journal Article] Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST Simulations2021

    • Author(s)
      Toru Ekimoto, Takafumi Kudo, Tsutomu Yamane, Mitsunori Ikeguchi
    • Journal Title

      J Chem Inf Model

      Volume: 61 Issue: 7 Pages: 3625-3637

    • DOI

      10.1021/acs.jcim.1c00534

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Journal Article] Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor2021

    • Author(s)
      Kei Takedomi, Masateru Ohta, Toru Ekimoto, Mitsunori Ikeguchi
    • Journal Title

      J Chem Inf Model

      Volume: 61 Issue: 7 Pages: 3583-3592

    • DOI

      10.1021/acs.jcim.1c00389

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Journal Article] Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF12021

    • Author(s)
      Kori Satomi、Shibahashi Yuki、Ekimoto Toru、Nishiyama Atsuya、Yoshimi Sae、Yamaguchi Kosuke、Nagatoishi Satoru、Ohta Masateru、Tsumoto Kouhei、Nakanishi Makoto、Defossez Pierre-Antoine、Ikeguchi Mitsunori、Arita Kyohei
    • Journal Title

      Bioorg Med Chem

      Volume: 52 Pages: 116500-116500

    • DOI

      10.1016/j.bmc.2021.116500

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-ORGANIZER-19H05739, KAKENHI-PLANNED-18H05425, KAKENHI-PLANNED-18H05426, KAKENHI-PUBLICLY-21H00272, KAKENHI-PROJECT-19H03153, KAKENHI-PROJECT-19J22030, KAKENHI-PROJECT-20H02531, KAKENHI-PLANNED-19H05741
  • [Journal Article] Structural and dynamical insights into the PH domain of p62 in human TFIIH2021

    • Author(s)
      Masahiko Okuda, Toru Ekimoto, Jun-ichi Kurita, Mitsunori Ikeguchi and Yoshifumi Nishimura
    • Journal Title

      Nucleic. Acids Res.

      Volume: 49 Issue: 5 Pages: 2916-2930

    • DOI

      10.1093/nar/gkaa1045

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Journal Article] Deformation of microtubules regulates translocation dynamics of kinesin2021

    • Author(s)
      Syeda Rubaiya Nasrin, Christian Ganser, Seiji Nishikawa, Arif Md Rashedul Kabir, Kazuki Sada, Takefumi Yamashita, Mitsunori Ikeguchi, Takayuki Uchihashi, Henry Hess, Akira Kakugo
    • Journal Title

      Sci Adv

      Volume: 7 Issue: 42 Pages: 1-11

    • DOI

      10.1126/sciadv.abf2211

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426, KAKENHI-PUBLICLY-20H04669, KAKENHI-PUBLICLY-21H00393, KAKENHI-PROJECT-21H01772, KAKENHI-PROJECT-21K19877, KAKENHI-PROJECT-21H04434, KAKENHI-PLANNED-18H05423
  • [Journal Article] Hydration properties of a protein at low and high pressures: Physics of pressure denaturation2020

    • Author(s)
      Inoue Masao、Hayashi Tomohiko、Hikiri Simon、Ikeguchi Mitsunori、Kinoshita Masahiro
    • Journal Title

      The Journal of Chemical Physics

      Volume: 152 Issue: 6 Pages: 065103-065103

    • DOI

      10.1063/1.5140499

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19K14674, KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-17H03663
  • [Journal Article] A synthetic ion channel with anisotropic ligand response2020

    • Author(s)
      Muraoka Takahiro, Noguchi Daiki, Kasai Rinshi, Sato Kohei, Sasaki Ryo, Tabata Kazuhito, Ekimoto Toru, Ikeguchi Mitsunori, Kamagata Kiyoto, Hoshino Norihisa, Noji Hiroyuki, Akutagawa Tomoyuki, Ichimura Kazuaki, Kinbara Kazushi
    • Journal Title

      Nature Communications

      Volume: 11 Issue: 1 Pages: 2924-2924

    • DOI

      10.1038/s41467-020-16770-z

    • NAID

      120006878529

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-20K05535, KAKENHI-PROJECT-20K06571, KAKENHI-PLANNED-17H06355, KAKENHI-ORGANIZER-18H05418, KAKENHI-PLANNED-18H05424, KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-20H03225, KAKENHI-PROJECT-19H00886, KAKENHI-PLANNED-18H05419, KAKENHI-ORGANIZER-20H05862, KAKENHI-PROJECT-19H02831
  • [Journal Article] Imidazolinium‐based Multiblock Amphiphile as Transmembrane Anion Transporter2020

    • Author(s)
      Mori Miki、Sato Kohei、Ekimoto Toru、Okumura Shinichi、Ikeguchi Mitsunori、Tabata Kazuhito V.、Noji Hiroyuki、Kinbara Kazushi
    • Journal Title

      Chemistry - An Asian Journal

      Volume: 16 Issue: 2 Pages: 147-157

    • DOI

      10.1002/asia.202001106

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-18H05418, KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-19K15534, KAKENHI-PLANNED-18H05419, KAKENHI-PROJECT-19H02831
  • [Journal Article] Combination of coarse-grained molecular dynamics simulations and small-angle X-ray scattering experiments2019

    • Author(s)
      Ekimoto T, Kokabu Y, Oroguchi T, Ikeguchi M
    • Journal Title

      Biophysics and Physicobiology

      Volume: 16 Issue: 0 Pages: 377-390

    • DOI

      10.2142/biophysico.16.0_377

    • NAID

      130007752757

    • ISSN
      2189-4779
    • Language
      English
    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-17K19209
  • [Journal Article] Rotational Mechanism Model of the Bacterial V1 Motor Based on Structural and Computational Analyses2019

    • Author(s)
      Singharoy A, Chipot C, Ekimoto T, Suzuki K, Ikeguchi M, Yamato I, Murata T.
    • Journal Title

      Front Physiol.

      Volume: 10 Pages: 1-12

    • DOI

      10.3389/fphys.2019.00046

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-17H03638, KAKENHI-PLANNED-18H05425
  • [Journal Article] How Does the Recently Discovered Peptide MIP Exhibit Much Higher Binding Affinity than an Anticancer Protein p53 for an Oncoprotein MDM22019

    • Author(s)
      Yamada Tatsuya、Hayashi Tomohiko、Hikiri Simon、Kobayashi Naohiro、Yanagawa Hiroshi、Ikeguchi Mitsunori、Katahira Masato、Nagata Takashi、Kinoshita Masahiro
    • Journal Title

      Journal of Chemical Information and Modeling

      Volume: 59 Issue: 8 Pages: 3533-3544

    • DOI

      10.1021/acs.jcim.9b00226

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K06152, KAKENHI-PROJECT-19K14674, KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-17H03663, KAKENHI-PUBLICLY-17H05878, KAKENHI-PROJECT-17K07307
  • [Journal Article] An Accurate and Rapid Method for Calculating Solvation Free Energies of a Variety of Solutes Including Proteins2019

    • Author(s)
      S. Hikiri, T. Hayashi, M. Inoue, T. Ekimoto, M. Ikeguchi, M. Kinoshita
    • Journal Title

      Journal of Chemical Physics

      Volume: 150 Issue: 17 Pages: 175101-175101

    • DOI

      10.1063/1.5093110

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17H03663, KAKENHI-PROJECT-19K14674, KAKENHI-PLANNED-18H05426
  • [Journal Article] Elimination of Finite-Size Effects on Binding Free Energies via the Warp-Drive Method.2018

    • Author(s)
      Ekimoto T, Yamane T, Ikeguchi M.
    • Journal Title

      J Chem Theory Comput.

      Volume: 14 Issue: 12 Pages: 6544-6559

    • DOI

      10.1021/acs.jctc.8b00280

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Journal Article] Statistical thermodynamics for the unexpectedly large difference between disaccharide stereoisomers in terms of solubility in water.2018

    • Author(s)
      Hikiri S, Hayashi T, Ikeguchi M, Kinoshita M.
    • Journal Title

      Phys Chem Chem Phys.

      Volume: 20 Issue: 36 Pages: 23684-23693

    • DOI

      10.1039/c8cp04377a

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-17H03663
  • [Journal Article] Finite-Size Effect on the Charging Free Energy of Protein in Explicit Solvent2015

    • Author(s)
      Toru Ekimoto, Nobuyuki Matubayasi, Mitsunori Ikeguchi
    • Journal Title

      J. Chem. Theory Comput.

      Volume: 11 Issue: 1 Pages: 215-223

    • DOI

      10.1021/ct5008394

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-25291036, KAKENHI-PROJECT-26240045
  • [Journal Article] The Mechanism of the ab (alpha beta) Conformational Change in F1-ATPase After the ATP Hydrolysis: Free-energy Simulation2015

    • Author(s)
      Yuko Ito, Mitsunori Ikeguchi
    • Journal Title

      Biophysical Journal

      Volume: 108 Issue: 1 Pages: 85-97

    • DOI

      10.1016/j.bpj.2014.11.1853

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-12J07915, KAKENHI-PROJECT-25291036, KAKENHI-PROJECT-26840051
  • [Journal Article] An accurate and efficient computation method of the hydration free energy of a large, complex molecule2015

    • Author(s)
      T. Yoshidome, T. Ekimoto, N. Matubayasi, Y. Harano, M. Kinoshita, and M. Ikeguchi
    • Journal Title

      J. Chem. Phys.

      Volume: 142 Issue: 17 Pages: 175101-11

    • DOI

      10.1063/1.4919636

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-25291035, KAKENHI-PROJECT-25291036
  • [Journal Article] Functional rotation induced by alternating protonation states in the multidrug transporter AcrB: All-atom molecular dynamics simulations.2013

    • Author(s)
      T. Yamane, S. Murakami, M. Ikeguchi
    • Journal Title

      Biochemistry

      Volume: 52 Issue: 43 Pages: 7648-7658

    • DOI

      10.1021/bi400119v

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Journal Article] Molecular Modeling and Molecular Dynamics Simulations of Recombinase Rad512013

    • Author(s)
      Y. Kokabu, M. Ikeguchi
    • Journal Title

      Biophys. J

      Volume: 104 Issue: 7 Pages: 1556-1565

    • DOI

      10.1016/j.bpj.2013.02.014

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Journal Article] Mechanistic insights into the activation of Rad51-mediated strand exchange from the structure of a recombination activator, the Swi5-Sfr1 complex2013

    • Author(s)
      N.Kuwabara, Y.Murayama, H.Hashimoto, Y.Kokabu, M.Ikeguchi, M.Sato, K.Mayanagi, Y.Tsutsui, H.Iwasaki,and T.Shimizu
    • Journal Title

      Structure

      Volume: 20 Issue: 3 Pages: 440-449

    • DOI

      10.1016/j.str.2012.01.005

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-21113002, KAKENHI-PROJECT-21370048, KAKENHI-PROJECT-21570114, KAKENHI-PROJECT-22370045, KAKENHI-PROJECT-22770109, KAKENHI-PUBLICLY-23118713, KAKENHI-PUBLICLY-23121524, KAKENHI-PROJECT-23770105, KAKENHI-PROJECT-24247033, KAKENHI-PROJECT-24657076, KAKENHI-PLANNED-22125003, KAKENHI-PUBLICLY-24114506
  • [Journal Article] Characterisation of an intrinsically disordered protein complex of Swi5-Sfr1 by ion mobility mass spectrometry and small-angle X-ray scattering2013

    • Author(s)
      Saikusa K, Kuwabara N, Kokabu Y, Inoue Y, Sato M, Iwasaki H, Shimizu T, Ikeguchi M, Akashi S
    • Journal Title

      Analys

      Volume: 138 Issue: 5 Pages: 1441-14499

    • DOI

      10.1039/c2an35878f

    • NAID

      120006557136

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20227009, KAKENHI-PLANNED-21113002, KAKENHI-PLANNED-21113003, KAKENHI-PLANNED-22125003, KAKENHI-PROJECT-22570120, KAKENHI-PLANNED-23116007, KAKENHI-PROJECT-23770105, KAKENHI-PROJECT-24247033
  • [Journal Article] Molecular Dynamics Simulations of Yeast F1-ATPase Before and After 16-degree Rotation of the Gamma Subunit2013

    • Author(s)
      Yuko Ito, Takashi Yoshidome, Nobuyuki Matubayashi, Masahiro Kinoshita, Mitsunori Ikeguchi
    • Journal Title

      The journal of Physical Chemistry B

      Volume: 117 Issue: 12 Pages: 3298-3307

    • DOI

      10.1021/jp312499u

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J07915, KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-22300100, KAKENHI-PROJECT-22300102, KAKENHI-PROJECT-23651202, KAKENHI-PLANNED-20118004, KAKENHI-PUBLICLY-23118713
  • [Journal Article] Characterization of Experimentally Determined Native-Structure Models of a Protein Using Energetic and Entropic Components of Free-Energy Function2012

    • Author(s)
      H. Mishima, S. Yasuda, T. Yoshidome, H. Oshima, Y. Harano, M. Ikeguchi, M. Kinoshita
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 116 Issue: 27 Pages: 7776-7786

    • DOI

      10.1021/jp301541z

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J00412, KAKENHI-ORGANIZER-20118001, KAKENHI-PROJECT-22300100, KAKENHI-PLANNED-20118004, KAKENHI-PUBLICLY-23118713
  • [Journal Article] Molecular Mechanism of ATP Hydrolysis in F_1-ATPase Revealed by Molecular Simulations and Single-Molecule Observations2012

    • Author(s)
      Shigehiko Hayashi, Hiroshi Ueno, Abdul Rajjak Shaikh, Myco Umemura, Motoshi Kamiya, Yuko Ito, Mitsunori Ikeguchi, Yoshihiro Momoriya, Ryota Iino, Hiroyuki Noji
    • Journal Title

      Journal of American Chemical Society

      Volume: 134 Issue: 20 Pages: 8447-8454

    • DOI

      10.1021/ja211027m

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J07915, KAKENHI-PROJECT-22247025, KAKENHI-PROJECT-22300102, KAKENHI-PROJECT-22370058, KAKENHI-PROJECT-24651167, KAKENHI-PUBLICLY-23107717, KAKENHI-PUBLICLY-23107720
  • [Journal Article] Role of the DELSEED Loop in Torque Transmission of F_1-ATPase2012

    • Author(s)
      Mizue Tanigawara, Kazuhiro V. Tabata, Yuko Ito, Jotaro Ito, Rikiya Watanabe, Hiroshi Ueno, Mitsunori Ikeguchi, Hiroyuki Noji,
    • Journal Title

      Biophysical Journal

      Volume: 103 Issue: 5 Pages: 970-978

    • DOI

      10.1016/j.bpj.2012.06.054

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J07915, KAKENHI-PROJECT-22247025, KAKENHI-PROJECT-22300102
  • [Journal Article] Structural Characteristics of Yeast F_1-ATPase Before and After 16-degree Rotation of the γ Subunit : Theoretical Analysis Focused on the Water-Enrtopy Effect2012

    • Author(s)
      Takashi Yoshidome, Yuko Ito, Nobuyuki Matubayashi, Mitunori Ikeguchi, Masahiro Kinoshita
    • Journal Title

      Journal of Chemical Physics

      Volume: 137 Issue: 3 Pages: 8-8

    • DOI

      10.1063/1.4734298

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J07915, KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PLANNED-20118004, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-22300100, KAKENHI-PROJECT-22300102, KAKENHI-PROJECT-23651202, KAKENHI-PUBLICLY-23118713
  • [Journal Article] Crucial Importance of Water-Entropy Effect for Predicting Hot Spots in Protein-Protein Complexes2011

    • Author(s)
      H.Oshima, S.Yasuda, T.Yoshidome, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 13 Issue: 36 Pages: 16236-16246

    • DOI

      10.1039/c1cp21597c

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PUBLICLY-23118713
  • [Journal Article] Mechanism of the conformational change of the F_1-ATPase B subunit revealed by free-energy simulations.2011

    • Author(s)
      Y.Ito, T.Oroguchi, M.Ikeguchi
    • Journal Title

      J.Am.Chem.Soc.

      Volume: 133 Pages: 3372-3380

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Journal Article] Mechanism of the conformational change of the F1-ATPase β subunit revealed by free-energy simulations2011

    • Author(s)
      Y.Ito, T.Oroguchi, M.Ikeguchi
    • Journal Title

      Journal of the American Chemical Society

      Volume: 133 Pages: 3372-3380

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] On the rotation mechanism of F_1-ATPase : crucial importance of water-entropy effect.2011

    • Author(s)
      T.Yoshidome, Y.Ito, M.Ikeguchi, M.Kinoshita
    • Journal Title

      J.Am.Chem.Soc.

      Volume: 133 Pages: 4030-4039

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] On the rotation mechanism of F_1-ATPase : crucial importance of water-entropy effect2011

    • Author(s)
      T.Yoshidome, Y.Ito, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Journal of the American Chemical Society

      Volume: 133 Pages: 4030-4039

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Mechanism of the conformational change of the F1-ATPase β subunit revealed by free-energy simulations2011

    • Author(s)
      Y.Ito, T.Oroguchi, M.Ikeguchi
    • Journal Title

      Journal of the American Chemical Society vol.133

      Pages: 3372-3380

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Rotational Mechanism of F_1-ATPase : Crucial Importance of Water-Entropy Effect2011

    • Author(s)
      T.Yoshidome, Y.Ito, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Journal of the American Chemical Society

      Volume: 133 Issue: 11 Pages: 4030-4039

    • DOI

      10.1021/ja109594y

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118004, KAKENHI-PROJECT-22300100, KAKENHI-PROJECT-22300102
  • [Journal Article] On the rotation mechanism of F1-ATPase: crucial importance of water-entropy effect2011

    • Author(s)
      T.Yoshidome, Y.Ito, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Journal of the American Chemical Society vol.133

      Pages: 4030-4039

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Fission yeast Swi5-Sfr1 protein complex, an activator of Rad51 recombinase, forms an extremely elongated dogleg-shaped structure2011

    • Author(s)
      Kokabu Y, Murayama Y, Kuwabara N, Oroguchi T, Hashimoto H, Tsutsui Y, Nozaki N, Akashi S, Unzai S, Shimizu T, Iwasaki H, Sato M, Ikeguchi M
    • Journal Title

      J Biol Chem

      Volume: 286 Issue: 50 Pages: 43569-43576

    • DOI

      10.1074/jbc.m111.303339

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20227009, KAKENHI-PLANNED-21113002, KAKENHI-PLANNED-21113003, KAKENHI-PROJECT-21370048, KAKENHI-PROJECT-22370045, KAKENHI-PROJECT-22570120, KAKENHI-PROJECT-22770109, KAKENHI-PLANNED-23116007, KAKENHI-PUBLICLY-23118713, KAKENHI-PUBLICLY-23121524, KAKENHI-PROJECT-23570145, KAKENHI-PROJECT-23770105
  • [Journal Article] Mechanism of the conformational change of the F1-ATPase β subunit revealed by free-energy simulations2011

    • Author(s)
      Y. Ito, T. Oroguchi, M. Ikeguchi
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 133 Issue: 10 Pages: 3372-3380

    • DOI

      10.1021/ja1070152

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Journal Article] Structural and functional analysis of the intrinsic inhibitor subunit ε of F1-ATPase from photosynthetic organisms2010

    • Author(s)
      H.Yagi, H.Konno, T.Murakami-Fuse, A.Isu, T.Oroguchi, H.Akutsu, M.Ikeguchi, T.Hisabori
    • Journal Title

      Biophysical Journal vol.425

      Pages: 85-94

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Side-chain conformational changes of transcription factor PhoB upon DNA binding : a population-shift mechanism.2010

    • Author(s)
      T.Yamane, H.Okamura, Y.Nishimura, A.Kidera, M.Ikeguchi
    • Journal Title

      J.Am.Chem.Soc.

      Volume: 132 Pages: 12653-12659

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Journal Article] Structural fluctuation and concerted motions in F1-ATPase: a molecular dynamics study2010

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Journal Title

      Journal of Computational Chemistry vol.31

      Pages: 2175-2185

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Effects of ionic strength on SAXS data for proteins revealed by molecular dynamics simulations.2010

    • Author(s)
      T.Oroguchi, M.Ikeguchi
    • Journal Title

      J.Chem.Phys.

      Volume: 134 Pages: 25102-25102

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Journal Article] Structural and functional analysis of the intrinsic inhibitor subunit e of F1-ATPase from photosynthetic organisms2010

    • Author(s)
      H.Yagi, H.Konno, T.Murakami-Fuse, A.Isu, T.Oroguchi, H.Akutsu, M.Ikeguchi, T.Hisabori
    • Journal Title

      Biophysical Journal 425

      Pages: 85-94

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Molecular dynamics simulations of the isolated β subunit of F_1-ATPase2010

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Journal Title

      Chem.Phys.Lett. 490

      Pages: 80-83

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] Molecular dynamics simulations of the isolated β subunit of F1-ATPase2010

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Journal Title

      Chemical Physics Letters vol.490

      Pages: 80-83

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Molecular dynamics simulations of the isolated β subunit of Fl-ATPase2010

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Journal Title

      Chemical Physics Letters 490

      Pages: 80-83

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Molecular dynamics simulations of the isolated β subunit of F1-ATPase2010

    • Author(s)
      Y. Ito, M. Ikeguchi
    • Journal Title

      Chem. Phys. Lett

      Volume: 490 Issue: 1-3 Pages: 80-83

    • DOI

      10.1016/j.cplett.2010.03.015

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Journal Article] Latent dynamics of a protein molecule observed in dihedral angle space.2010

    • Author(s)
      S.Omori, S.Fuchigami, M.Ikeguchi, A.Kidera
    • Journal Title

      J.Chem.Phys. 132

      Pages: 115103-115103

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] Molecular modeling of the HAMP domain of sensory rhodopsin II transducer from Natronomonas pharaonis2010

    • Author(s)
      K.Nishikata, S.Fuchigami, M.Ikeguchi, A.Kider+a
    • Journal Title

      BIOPHYSICS 6

      Pages: 27-36

    • NAID

      130000248065

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] Normal mode analysis of protein dynamics in a non-eckart frame2010

    • Author(s)
      S.Fuchigami, S.Omori, M.Ikeguchi, A.Kidera
    • Journal Title

      J.Chem.Phys. 132

      Pages: 104109-104109

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] Structural fluctuation and concerted motions in F1-ATPase : a molecular dynamics study2010

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Journal Title

      Journal of Computational Chemistry (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Structural and functional analysis of the intrinsic inhibitor subunit εof F1-ATPase from photosynthetic organisms2010

    • Author(s)
      H. Yagi, H. Konno, T. Murakami-Fuse, A. Isu, T. Oroguchi, H. Akutsu, M. Ikeguchi, T. Hisabori
    • Journal Title

      Biochem. J

      Volume: 425 Issue: 1 Pages: 85-94

    • DOI

      10.1042/bj20091247

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Journal Article] Structural and functional analysis of the intrinsic inhibitor subunit ε of F_1-ATPase from photosynthetic organisms2010

    • Author(s)
      H.Yagi, H.Konno, T.Murakami-Fuse, A.Isu, T.Oroguchi, H.Akutsu, M.Ikeguchi, T.Hisabori
    • Journal Title

      Biochem.J. 425

      Pages: 85-94

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] Structural fluctuation and concerted motions in F1-ATPase: a molecular dynamics study2010

    • Author(s)
      Y. Ito, M. Ikeguchi
    • Journal Title

      J. Comput. Chem

      Volume: 31 Issue: 11 Pages: 2175-2185

    • DOI

      10.1002/jcc.21508

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Journal Article] Linear response theory in dihedral angle space for protein structural change upon ligand binding2009

    • Author(s)
      S.Omori, S.Fuchigami, M.Ikeguchi, A.Kidera
    • Journal Title

      J.Comput.Chem. 30

      Pages: 2602-2608

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] Intrinsic Dynamics of Restriction Endonuclease Eco0109I Studied by Molecular Dynamics Simulations and X-Ray Scattering Data Analysis2009

    • Author(s)
      T. Oroguchi, H. Hashimoto, T. Shimizu, M. Sato, M. Ikeguchi
    • Journal Title

      Biophys. J 96

      Pages: 2808-2822

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20051020
  • [Journal Article] Water transport in aquaporins : molecular dynamics simulations2009

    • Author(s)
      M. Ikeguchi
    • Journal Title

      Frontiers in Bioscience 14

      Pages: 1283-1291

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Free-energy function based on an all-atom model for proteins2009

    • Author(s)
      T.Yoshidome, K.Oda, Y.Harano, R.Roth, Y.Sugita, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Proteins 77

      Pages: 950-961

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Journal Article] Intrinsic dynamics of restriction endonuclease Eco0109I studied by molecular dynamics simulations and x-ray scattering data analysis2009

    • Author(s)
      T. Oroguchi, H. Hashimoto, T. Shimizu, M. Sato, M. Ikeguchi
    • Journal Title

      Biophys. J. 96

      Pages: 2808-2822

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Linear response theory in dihedral angle space for protein structural change upon ligand binding2009

    • Author(s)
      S. Omori, S. Fuchigami, M. Ikeguchi, A. Kidera
    • Journal Title

      J. Comput. Chem.

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Intrinsic dynamics of restriction endonuclease EcoO109I studied by molecular dynamics simulations and x-ray scattering data analysis2009

    • Author(s)
      T. Oroguchi, H. Hashimoto, T. Shimizu, M. Sato, M. Ikeguchi
    • Journal Title

      Biophys. J. 96

      Pages: 2808-2822

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Water-mediated interactions between DNA and PhoB DNA-binding/trans activationdomain:NMR-restrained molecular dynamics in explicit water environment2008

    • Author(s)
      T.Yamane, H.Okamura, M.Ikeguchi, Y.Nishimura, A.Kidera
    • Journal Title

      Proteins:Structure, Function, and Bioinformatics 71

      Pages: 1970-1983

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Water-mediated interactions between DNA and PhoB DNA-binding/transactivation domain as determined by NMR and restrained molecular dynamics in explicit water environment2008

    • Author(s)
      T.Yamane, H.Okamura, M.Ikeguchi, Y.Nishimura and A.Kidera
    • Journal Title

      Proteins:Structure, Function, and Bioinformatics 71

      Pages: 1970-1983

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Journal Article] Water-mediated interactions between DNA and PhoB DNA-binding/transactivation domain: NMR-restrained molecular dynamics in expplicit water environment.2008

    • Author(s)
      T. Yamane, H. Okamura, M. Ikeguchi, Y. Nishimura, A. Kidera
    • Journal Title

      Proteins: Structure, Function, and Bioinformatics 71

      Pages: 1970-1983

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Structure of the SUMO-interacting motif of MCAF1 bound to SUMO-32008

    • Author(s)
      N. Sekiyama, T. Ikegami, T. Yamane, H. Ikeguchi, Y. Uchimura, D. Baba, M. Ariyoshi, H. Tochio, H. Saitoh, M. Shirakama
    • Journal Title

      J. Biol. Chem. 283

      Pages: 35966-35975

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] アクアポリンの水透過過程の比較分子シミュレーション2008

    • Author(s)
      木寺詔紀, 池口満徳
    • Journal Title

      生化学 80

      Pages: 940-947

    • NAID

      10022594695

    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Unfolding athways of Goat α-Lactalbumin as revealed in multiple alignment of molecular dynamics trajectories2007

    • Author(s)
      T.Oroguchi, M.Ikeguchi, M.Ota, K.Kuwajima and A.Kidera
    • Journal Title

      J.Mol.Biol. 371

      Pages: 1354-1364

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Journal Article] Water transport in aquaporins : Osmotic permeability matrix analysis of molecular dynamics simulations2007

    • Author(s)
      M.Hashido, A.Kidera, M.Ikeguchi
    • Journal Title

      Biophysical Journal 92(In press)

    • Data Source
      KAKENHI-PROJECT-17048024
  • [Journal Article] Physical basis for characterizing native structures of proteins2007

    • Author(s)
      Y.Harano, R.Roth, Y.Sugita, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Chem. Phys. Lett. 437

      Pages: 112-116

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Unfolding pathways of goat a-lactalbumin as revealed in multiple align ment of molecular dynamics trajectories2007

    • Author(s)
      T.Oroguchi, M.Ikeguchi, M.Ota, K.Kuwajima, A.Kidera
    • Journal Title

      Journal of Molecular Biology 371

      Pages: 777-784

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Unfolding pathways of goat α-lactalbumin as revealed in multiple alignment of molecular dynamics trajectories2007

    • Author(s)
      T. Oroguchi, M. Ikeguchi, M. Ota, K. Kuwajima, A. Kidera
    • Journal Title

      J. Mol. Biol. 371

      Pages: 1354-1364

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Nickel binding to NikA : an additional binding site reconciles spectroscopy, calorimetry and crystallography.2007

    • Author(s)
      C.Addy, C.Ohara, M.Kawai, F.Kidera, A.Ikeguchi, M.Fuchigami, S.Osawa, M.Shimada, I.Park, S.-Y.Tame, J.R.H., Heddle, J.G.
    • Journal Title

      Acta Crystallographica Section D : Biological Crystallography D63

      Pages: 221-229

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Physical basis for characterizing native structures of proteins2007

    • Author(s)
      Y.Harano, R.Roth, Y.Sugita, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Chem.Phys.Lett. 437

      Pages: 112-116

    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Water transport in aquaporins:osmotic permeability matrix analysis of molecular dynamics simulations2007

    • Author(s)
      M.Hashido, A.Kidera, M.Ikeguchi
    • Journal Title

      Biophysical Journal 93

      Pages: 373-385

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Water transport in aquaporins: osmotic permeability matrix analysis of molecular dynamics simulations2007

    • Author(s)
      M. Hashido, A. Kidera, M. Ikeguchi
    • Journal Title

      Biophys. J. 93

      Pages: 373-385

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] 生物系の分子動力学シミュレーション2007

    • Author(s)
      池口満徳
    • Journal Title

      日本物理学会誌 vol.62

      Pages: 777-784

    • NAID

      110006436909

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Unfolding pathways of goatα-lactalbumin as revealed in multiple alignment of molecular dynamics trajectories.2007

    • Author(s)
      T. Oroguchi, M. Ikeguchi, M. Ota, K. Kuwajima, A. Kidera
    • Journal Title

      Mol. Biol. 371

      Pages: 1354-64

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19300101
  • [Journal Article] Structural changes of the cytoplasmic domain of phospholamban by phosphorylation at Ser16 : A molecular dynamics study.2006

    • Author(s)
      Sugita, Y., Miyashita, N., Yoda, T., Ikeguchi, M., Toyoshima
    • Journal Title

      Biochemistry 45

      Pages: 11752-11761

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] 蛋白質構造変化の源はゆらぎ-分子結合に伴う蛋白質の立体構造変化の理論-2006

    • Author(s)
      池口満徳, 木寺詔紀
    • Journal Title

      蛋白質・核酸・酵素 51・3

      Pages: 268-273

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] タンパク質構造変化の理論 : 平衡ゆらぎと線形応答理論2006

    • Author(s)
      池口満徳, 木寺詔紀
    • Journal Title

      生物物理 46

      Pages: 275-278

    • NAID

      110004810275

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] 脂質二重膜・膜蛋白質の分子動力学計算.2006

    • Author(s)
      杉田有治, 池口満徳
    • Journal Title

      物性研究 86

      Pages: 157-197

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] タンパク質フォールデイング博物学の曙2006

    • Author(s)
      太田元規, 池口満徳
    • Journal Title

      生物物理 46

      Pages: 224-227

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] フォールディング実験とその分子動力学による再現2005

    • Author(s)
      池口満徳, 桑島邦博
    • Journal Title

      現代化学 407

      Pages: 49-54

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Comparative simulations of aquaporin family : AQP1, AQPZ, AQP0 and GlpF2005

    • Author(s)
      Hashido, M., Ikeguchi, M., Kidera, A.
    • Journal Title

      FEBS Letters 579

      Pages: 5549-5552

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Protein Structural Change upon Ligand Binding : Linear Response Theory2005

    • Author(s)
      M.Ikeguchi, J.Ueno, M.Sato, A.Kidera
    • Journal Title

      Phys.Rev.Lett. 94

      Pages: 78102-78102

    • Data Source
      KAKENHI-PROJECT-13208010
  • [Journal Article] Protein structural change upon ligand binding : Linear response theory2005

    • Author(s)
      Ikeguchi, M.
    • Journal Title

      Phys. Rev. Lett. 94

      Pages: 78102-78102

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-13208010
  • [Journal Article] Protonation of the acidic residues in the transmembrane cation-binding sites of the Ca^<2+>-pump2005

    • Author(s)
      Sugita, Y., Miyashita, N., Ikeguchi, M., Kidera, A., Toyoshima, C.
    • Journal Title

      The Journal of American Chemical Society 127

      Pages: 6150-6151

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Atomically detailed description of the unfolding of α-lactalbumin by the combined use of experiments and simulations2005

    • Author(s)
      Oroguchi, T., Ikeguchi, M., Saeki, K., Kamagata, K., Sawano, Y., Tanokura, M., Kidera, A.Kuwajima
    • Journal Title

      Journal of Molecular Biology 354

      Pages: 164-172

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Protein structural change upon ligand binding : Linear response theory2005

    • Author(s)
      Ikeguchi, M.
    • Journal Title

      Phys.Rev.Lett. 94

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-13208010
  • [Journal Article] Protein structural change upon ligand binding : Linear response theory2005

    • Author(s)
      M.Ikeguchi, J.Ueno, M.Sato, A.Kidera
    • Journal Title

      Phys.Rev.Lett. 94

      Pages: 78102-78102

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Phylogeny of protein-folding trajectories reveals a unique pathway to native structure2004

    • Author(s)
      Ota, M., Ikeguchi, M., Kidera, A.
    • Journal Title

      Proc.Natl.Acad.Sci.USA 101

      Pages: 17658-17663

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Phylogeny of protein folding trajectories reveals a unique pathway to native structure2004

    • Author(s)
      M.Ota, M.Ikeguchi, A.Kidera
    • Journal Title

      Proc.Natl.Acad.Sci.USA 101

      Pages: 17658-17663

    • Data Source
      KAKENHI-PROJECT-13208010
  • [Journal Article] The crystal structure of the tryptophan synthase b2 subunit from the hyperthermophile Pvrococcus furiosus Investigation of stabilization factors2004

    • Author(s)
      Hioki, Y.(中略) Ikeguchi, M., Kuramitsu, S., Yutani, K.
    • Journal Title

      Eur.J.Biochem 271

      Pages: 2624-2635

    • Data Source
      KAKENHI-PROJECT-15076209
  • [Journal Article] Partial rigid-body dynamics in NPT, NPAT and NPγT ensembles for proteins and membranes2003

    • Author(s)
      Ikeguchi, M.
    • Journal Title

      J.Comput.Chem. 25

      Pages: 529-541

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-13208010
  • [Journal Article] Partial rigid-body dynamics in NPT, NPAT and NPγT ensembles for proteins and membranes2003

    • Author(s)
      Ikeguchi, M
    • Journal Title

      J. Comput. Chem. 25

      Pages: 529-541

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-13208010
  • [Journal Article] Water Transport in Aquaporins : Osmotic Permeability Matrix Analysis of Molecular Dynamics Simulations

    • Author(s)
      M.Hashido, A.Kidera, M.Ikeguchi
    • Journal Title

      Biophys.J. (in press)

    • Data Source
      KAKENHI-PLANNED-18074004
  • [Journal Article] Free-energy function for discriminating the native fold of a protein from misfolded decoys.

    • Author(s)
      S.Yasuda, T.Yoshidome, Y.Harano, R.Roth, H.Oshima, K.Oda, Y.Sugita, M.Ikeguchi, M.Kinoshita
    • Journal Title

      Proteins

      Volume: (印刷中)

    • NAID

      120005593601

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Presentation] QM/MM simulations of artificial ion channel in membrane-water system2022

    • Author(s)
      M. Nakagawa, T.Ekimoto, T. Yamane, K. Sato, K. Kinbara, M. Ikeguchi
    • Organizer
      情報計算科学生物学会2022年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 膜水系における人工イオンチャネルのQM/MMシミュレーション2022

    • Author(s)
      中川真由子、浴本亨、山根努、佐藤浩平、金原数、池口満徳
    • Organizer
      第50回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 拡張アンサンブル手法を用いた中分子シクロスポリン A と E の動的構造探索2022

    • Author(s)
      浴本亨、伊藤朱里、山根努、池口満徳
    • Organizer
      第22回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 計算蛋白質科学の現在と未来2022

    • Author(s)
      池口満徳
    • Organizer
      第22回日本蛋白質科学会年会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Structural dynamics of proteins studied using molecular dynamics simulations.2022

    • Author(s)
      M. Ikeguchi
    • Organizer
      第60回生物物理学会年会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Substrate transport simulations of human L-type amino acid transporter LAT1-CD98hc complex coupled with conformational changes2022

    • Author(s)
      N. Yoahida, T. Ekimoto, T. Yamane, M. Ikeguchi
    • Organizer
      第60回生物物理学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] アミノ酸トランスポーターLAT1の基質輸送シミュレーション2022

    • Author(s)
      吉田夏海、浴本亨、山根努、池口満徳
    • Organizer
      第50回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 木探索分子動力学法による Interleukin-2-inducible T-cell kinase 活性化経路の探索2022

    • Author(s)
      中居雪菜、浴本亨、山根努、小川直樹、井上雅郎、寺山慧、池口満徳
    • Organizer
      第22回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Applications of REST simulation to understanding regulation mechanism of protein activation and peptide ligands.2022

    • Author(s)
      浴本亨、山根努、池口満徳
    • Organizer
      第60回生物物理学会年会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 全原子分子動力学シミュレーションによるヒトL型アミノ酸トランスポーター LAT1-CD98hc 複合体の基質輸送メカニズムの解析2022

    • Author(s)
      吉田夏海、浴本亨、山根努、池口満徳
    • Organizer
      第22回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 分子動力学シミュレーションの創薬応用とFMO法への期待2022

    • Author(s)
      池口満徳
    • Organizer
      情報計算科学生物学会2022年大会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] A study of activation mechanism of epidermal growth factor receptor kinase using large-scale molecular dynamics simulations2022

    • Author(s)
      井上雅郎、浴本亨、山根努、池口満徳
    • Organizer
      第60回生物物理学会年会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] QM/MM simulations of cyclic artificial ion channel in membrane-water system2022

    • Author(s)
      M. Nakagawa, T. Ekimoto, T. Yamane, K. Sato, K. Kinbara, M. Ikeguchi
    • Organizer
      第60回生物物理学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 構造生物学データを活用しAIと連携した分子動力学シミュレーション研究2022

    • Author(s)
      池口満徳
    • Organizer
      情報計算科学生物学会2022年大会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Activation Pathway of Interleukin-2-inducible T-cell kinase Explored by Tree-Search Molecular Dynamics2022

    • Author(s)
      Y. Nakai, T. Ekimoto, T. Yamane, N. Ogawa, M. Inoue, K. Terayama, M. Ikeguchi
    • Organizer
      第60回生物物理学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Activation Pathway of IL-2-inducible T-cell kinase Explored by Tree-Search Molecular Dynamics2021

    • Author(s)
      中居雪菜、浴本亨、山根努、小川直樹、寺山慧、池口満徳
    • Organizer
      情報計算科学生物学会2021年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Inhibitor discovery targeting UHRF1 by MD simulations and biochemical analyses2021

    • Author(s)
      柴橋佑希、浴本亨、郡聡実、山根努、有田恭平、池口満徳
    • Organizer
      情報計算科学生物学会2021年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Transport simulation of human LAT1-CD98hc complex2021

    • Author(s)
      吉田夏海、浴本亨、山根努、池口満徳
    • Organizer
      情報計算科学生物学会2021年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 維持メチル化因子UHRF1の阻害剤探索:MDを組み合わせたインシリコスクリーニング2021

    • Author(s)
      柴橋佑希、浴本亨、郡聡実、山根努、有田恭平、池口満徳
    • Organizer
      第49回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] ヒト L型アミノ酸トランスポーター1と阻害剤JPH203の結合構造予測2021

    • Author(s)
      吉田夏海、浴本亨、山根努、鈴木登紀子、遠藤仁、池口満徳
    • Organizer
      第21回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] TS-MDによるInterleukin-2-inducible T-cell kinase活性化機構の解明2021

    • Author(s)
      中居雪菜、浴本亨、山根努、小川直樹、寺山慧、池口満徳
    • Organizer
      第49回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Comparison of molecular dynamics of cyclosporin A and cycrosporin E2021

    • Author(s)
      伊藤朱里、山根努、浴本亨、池口満徳
    • Organizer
      情報計算科学生物学会2021年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 人工イオンチャネルの全原子分子動力学シミュレーション2021

    • Author(s)
      中川真由子、浴本亨、山根努、村岡貴博、佐藤浩平、金原数、池口満徳
    • Organizer
      第 10 回日本生物物理学会関東支部会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Elucidation of interaction between neurotrophin receptor TrkAd5 and its binding peptide2021

    • Author(s)
      高橋真帆、浴本亨、鈴木里香、山根努、高橋栄夫、池口満徳
    • Organizer
      情報計算科学生物学会2021年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Interaction analysis of cyclic artificial ion channel AmFF2021

    • Author(s)
      中川真由子、山根努、浴本亨、佐藤浩平、金原数、池口満徳
    • Organizer
      情報計算科学生物学会2021年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 硬質コルチコイド受容体の活性型変異S810Lに対する水分子の効果2021

    • Author(s)
      武富啓、大田雅照、浴本亨、池口満徳
    • Organizer
      第49回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] ヒト L型アミノ酸トランスポーター1と阻害剤JPH203の結合構造予測2021

    • Author(s)
      吉田夏海、浴本亨、山根努、鈴木登紀子、遠藤仁、池口満徳
    • Organizer
      第 10 回日本生物物理学会関東支部会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] ニューロトロフィン受容体TrkAd5結合ペプチドのデザイン2021

    • Author(s)
      高橋真帆、浴本亨、山根努、鈴木里佳、高橋栄夫、池口満徳
    • Organizer
      第49回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 中分子シクロスポリンAとシクロスポリンEの分子ダイナミクスの比較2021

    • Author(s)
      伊藤朱里、浴本亨、山根努、池口満徳
    • Organizer
      第49回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 人工イオンチャネルの全原子分子動力学シミュレーション2021

    • Author(s)
      中川真由子、浴本亨、山根努、村岡貴博(東京農工大)、佐藤浩平、金原数、池口満徳
    • Organizer
      第22回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 環状人工イオンチャネルの相互作用解析2021

    • Author(s)
      中川真由子・山根努・浴本亨・佐藤浩平、金原数・池口満徳
    • Organizer
      第49回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Transport mechanism of human LAT1-CD98hc complex studied by all-atom MD2021

    • Author(s)
      吉田夏海、浴本亨、山根努、池口満徳
    • Organizer
      第59回日本生物物理学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 全原子分子動力学シミュレーションを使ったヒトL型アミノ酸トランスポーター LAT1のコンフォメーション変化の解析2021

    • Author(s)
      吉田夏海、浴本亨、山根努、池口満徳
    • Organizer
      第49回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 神経栄養因子NGF高親和性受容体TrkAドメイン5と新規結合ペプチドの相互作用解析2021

    • Author(s)
      鈴木里佳、登坂綺水、浴本亨、高橋真帆、山根努、坂倉正義、水越弓子、竹内恒、嶋田一夫、池口満徳、高橋栄夫
    • Organizer
      日本薬学会第140年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 3D-RISM-AI: Prediction of protein-ligand binding free energy based on machine learning using 3D-RISM2020

    • Author(s)
      大崎和、山根努、浴本亨、池口満徳
    • Organizer
      第20回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Combination method of coarse-grained molecular dynamics simulations and small-angle x-ray scattering data2020

    • Author(s)
      浴本亨、小甲裕一、苙口友隆、池口満徳
    • Organizer
      Biophysical society 64th Annual Meeting
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 機械学習を用いた3D-RISMベースの結合自由エネルギー予測2020

    • Author(s)
      大崎和、浴本亨、山根努、池口満徳
    • Organizer
      第48回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Regulation mechanism of agonist/antagonist activities of vitamin D receptor elucidated by generalized ensemble method2020

    • Author(s)
      浴本亨、工藤崇文、山根努、池口満徳
    • Organizer
      第20回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 中分子シクロスポリンAとシクロスポリンEの分子ダイナミクスの比較2020

    • Author(s)
      伊藤朱里、浴本亨、山根努、池口満徳
    • Organizer
      第48回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] シクロスポリンAのCHARMM力場の開発2020

    • Author(s)
      山根努、浴本亨、池口満徳
    • Organizer
      第48回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] In-silico analysis of artificial ion channels2020

    • Author(s)
      長村隆大、浴本亨、山根努、村岡高宏、金原数、池口満徳
    • Organizer
      The 1st International Symposium on Molecular Engine
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] ニューロトロフィン受容体TrkAd5と結合ペプチド間の相互作用様式の解明2020

    • Author(s)
      高橋真帆、浴本亨、山根努、鈴木里佳、高橋栄夫、池口満徳
    • Organizer
      第48回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Comparison of molecular dynamics of cyclosporin A and cycrosporin E2020

    • Author(s)
      伊藤朱里、山根努、浴本亨、池口満徳
    • Organizer
      第20回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Development of the CHARMM force field for cyclosporine A and application to molecular dynamics simulations using a membrane-water system2020

    • Author(s)
      山根努、高橋遼、伊藤朱里、浴本亨、池口満徳
    • Organizer
      Biophysical society 64th Annual Meeting
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Elucidation of interaction between neurotrophin receptor TrkAd5 and its binding peptide2020

    • Author(s)
      高橋真帆、浴本亨、山根努、鈴木里香、高橋栄夫、池口満徳
    • Organizer
      第20回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Development of the CHARMM force field for Cyclosporine A and application to molecular dynamics simulations using a membrane-water system2019

    • Author(s)
      山根努、浴本亨、池口満徳
    • Organizer
      第57回日本生物物理学会年
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Regulation mechanism of agonistic/antagonistic activities of vitamin D receptor analyzed by generalized ensemble method2019

    • Author(s)
      工藤崇文、浴本亨、山根努、池口満徳
    • Organizer
      情報計算科学生物学会2019年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 拡張アンサンブル法を用いたビタミンD受容体のアゴニスト/アンタゴニスト活性調節機構の研究2019

    • Author(s)
      工藤崇文、浴本亨、山根努、池口満徳
    • Organizer
      第47回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Regulation mechanism of agonistic/antagonistic activities of vitamin D receptor studied by generalized ensemble method2019

    • Author(s)
      工藤崇文、浴本亨、山根努、池口満徳
    • Organizer
      第57回日本生物物理学会年
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Ligand-bound forms of drug discovery target protein in solution studied by molecular dynamics simulations2019

    • Author(s)
      浴本亨、工藤崇文、山根努、池口満徳
    • Organizer
      第57回日本生物物理学会年
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Elimination of Finite-size Effects on Binding Free Energies by the Warp-drive method2019

    • Author(s)
      浴本亨、山根努、池口満徳
    • Organizer
      Biophysical society 63th Annual Meeting
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Selectivity of phosphodiesterase-10A inhibitor for phosphodiesterase family elucidated by free energy perturbation approach2019

    • Author(s)
      浴本亨、湯浅千紗、山根努、池口満徳
    • Organizer
      情報計算科学生物学会2019年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] ホスホジエステラーゼファミリータンパク質における選択性のインシリコ研究2019

    • Author(s)
      浴本亨、湯浅千紗、山根努、池口満徳
    • Organizer
      第47回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] シクロスポリンAのCHARMM力場開発と膜-水系の分子シミュレーションへの応用2019

    • Author(s)
      山根努、高橋遼、浴本亨、池口満徳
    • Organizer
      第18回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Phosphodiesterase阻害薬のファミリー蛋白質選択性に関するin silico解析2019

    • Author(s)
      湯浅千紗、浴本亨、山根努、池口満徳
    • Organizer
      第18回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 3D-RISM-AI: A machine learning approach to predict protein-ligand binding affinity using 3D-RISM2019

    • Author(s)
      大崎和、山根努、浴本亨、池口満徳
    • Organizer
      情報計算科学生物学会2019年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Artificial ion channels studied by All-atom molecular dynamics simulations2019

    • Author(s)
      長村隆大、浴本亨、山根努、村岡高宏、金原数、池口満徳
    • Organizer
      情報計算科学生物学会2019年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] All-atom molecular dynamics simulations of artificial ion channels2019

    • Author(s)
      長村隆大、浴本亨、山根努、村岡高宏、金原数、池口満徳
    • Organizer
      第57回日本生物物理学会年
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Development of the CHARMM force field for Cyclosporine A and application to molecular dynamics simulations using a membrane-water system2019

    • Author(s)
      山根努、高橋遼、伊藤朱里、浴本亨、池口満徳
    • Organizer
      情報計算科学生物学会2019年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 異なる分子パラメータを持つ複数分子系のシミュレーションプロトコルの構築2019

    • Author(s)
      佐藤美和、佐藤昂人、鈴木南美、浴本亨、山根努、池口満徳
    • Organizer
      第33回分子シミュレーション討論会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] An effective alchemical perturbation method eliminating finite-size effect on binding free energies2018

    • Author(s)
      浴本亨、山根努、池口満徳
    • Organizer
      第56回日本生物物理学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 分子動力学シミュレーションを用いたビタミンD受容体リガンド結合ドメインの溶液構造解析2018

    • Author(s)
      浴本亨、工藤崇文、山根努、池口満徳
    • Organizer
      第46回構造活性相関シンポジウム
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Regulation mechanism of agonistic/antagonistic activities of vitamin D receptor studied by pharmacophore analysis2018

    • Author(s)
      工藤崇文、浴本亨、池口満徳
    • Organizer
      第56回日本生物物理学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Molecular dynamics simulations of multidrug transporter AcrB2018

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      The 79th Okazaki Conference: Synthetic, Biological, and Hybrid Molecular Engines
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] ヒト疾患モデルと分子動力学によるGPCRのリガンド結合ーシグナル活性化の新たな連関機構の解明2018

    • Author(s)
      栗原由紀子、浴本亨、北沢太郎、杉山諒、小谷理沙、内島恭信、池口満徳、栗原裕基
    • Organizer
      第41回日本分子生物学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Development of the CHARMM force field for Cyclosporine A2018

    • Author(s)
      山根努、渡邊裕太、浴本亨、池口満徳
    • Organizer
      第56回日本生物物理学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Development of the CHARMM force field for Cyclosporine A2018

    • Author(s)
      山根努、高橋遼、浴本亨、池口満徳
    • Organizer
      情報計算科学生物学会2018年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] In silico protein-protein interaction analysis of axon guidance molecule semaphorin and receptor plexin2018

    • Author(s)
      下地恵令奈、山根努、浴本亨、永友芽里、禾晃和、池口満徳
    • Organizer
      情報計算科学生物学会2018年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] シグナル分子セマフォリンと受容体プレキシンの結合特異性に関する構造生物学的解析2018

    • Author(s)
      田中翼、永友芽里、根谷崎牧子、大井里香、下地恵令奈、山根努、浴本亨、池口満徳、禾晃和
    • Organizer
      第41回日本分子生物学会年会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Molecular simulations for biomolecules using high performance computers2018

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      The 3rd International Symposium on Research and Education of Computational Science (RECS)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Protein-ligand binding process studied by Markov state mode2018

    • Author(s)
      浴本亨、荒木望嗣、井阪悠太、山根努、奥野恭史、池口満徳
    • Organizer
      情報計算科学生物学会2018年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] In silico binding affinity analysis for phosphodiesterase-10A inhibitors2018

    • Author(s)
      湯浅千紗、浴本亨、山根努、池口満徳
    • Organizer
      情報計算科学生物学会2018年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Study of regulation mechanism of agonistic/antagonistic activities of viramin D receptor ligand-binding domain2018

    • Author(s)
      工藤崇文、浴本亨、山根努、池口満徳
    • Organizer
      情報計算科学生物学会2018年大会
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] 分子動力学計算による構造生物学データを活用した構造ダイナミクス研究2018

    • Author(s)
      池口満徳
    • Organizer
      情報計算科学生物学会2018年大会
    • Invited
    • Data Source
      KAKENHI-PLANNED-18H05426
  • [Presentation] Rotation mechanism of V1-ATPase studied by multi-scale MD simulation2015

    • Author(s)
      Yuta Isaka, Yuichi Kokabu, Toru Ekimoto, Takeshi Murat, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第53回年会
    • Place of Presentation
      金沢大学
    • Year and Date
      2015-09-13
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] マルチスケール分子動力学シミュレーションによる V1-ATPase の回転機構の解明2015

    • Author(s)
      井阪 悠太、小甲 裕一、浴本 亨、 村田 武士、池口 満徳
    • Organizer
      日本蛋白質科学会第15回年会
    • Place of Presentation
      徳島あわぎんホール
    • Year and Date
      2015-06-24
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Conformational Dynamics of Multidrug Efflux Transporter AcrB2015

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第53回年会
    • Place of Presentation
      金沢大学
    • Year and Date
      2015-09-13
    • Invited
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Free energy simulations for the conformational change of the αβ subunits in F1-ATPase after the ATP hydrolysis2014

    • Author(s)
      Yuko Ito, Mitsunori Ikeguchi
    • Organizer
      58th Annual Meeting of Biophysical Society
    • Place of Presentation
      San Francisco, California, USA
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Molecular Dynamics Simulation on Structural Characteristics of Yeast F1-ATPase before and after 16-degree Rotation of Gamma Subunit2013

    • Author(s)
      Yuko Ito, Takashi Yoshidome, Nobuyuki Matubayasi, Masahiro Kinoshita, Mitsunori Ikeguchi
    • Organizer
      57th Annual Meeting of Biophysical Society
    • Place of Presentation
      Philadelphia, USA
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Molecular modeling and molecular dynamics simulations of recombinase Rad512013

    • Author(s)
      Yuichi Kokabu, Mitsunori Ikeguchi
    • Organizer
      57th Annual Meeting of Biophysical Society
    • Place of Presentation
      Philadelphia, USA
    • Year and Date
      2013-02-02
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] Comparison of ssDNA- and dsDNA-binding affinity of RecA recombinase using the PBSA method2013

    • Author(s)
      Yuichi Kokabu, Mitsunori Ikeguchi
    • Organizer
      The 3rd International Conference on New frontier of the research in RecA-family recombinase and its accessory proteins
    • Place of Presentation
      Nantes, France
    • Invited
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Rotation mechanism of V1-ATPase studied by steered MD simulations2013

    • Author(s)
      Yuta Isaka, Ichiro Yamato, Takeshi Murata, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第51回年会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Molecular dynamics simulation on structural characteristics of yeast F1-ATPase before and after 16-degree rotation of gamma subunit2013

    • Author(s)
      Y. Ito, T. Yoshidome, N. Matubayasi, M.Kinoshita, M. Ikeguchi
    • Organizer
      The 57th Annual Meeting of Biophysical Society
    • Place of Presentation
      Philadelphia, USA
    • Year and Date
      2013-02-06
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Molecular dynamics simulations of biomolecular motor F1-ATPase2013

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      CMSI International Satellite Meeting in NAGOYA
    • Place of Presentation
      名古屋
    • Invited
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] All-atom hydration analysis of the β subunit in F1-ATPase2013

    • Author(s)
      Toru Ekimoto, Mitsunori Ikeguchi, Nobuyuki Matubayasi
    • Organizer
      日本生物物理学会第51回年会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Protein structural fluctuations investigated by small-angle X-ray solution scattering and molecular dynamics simulations2013

    • Author(s)
      Tomotaka Oroguchi, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第51回年会
    • Place of Presentation
      京都
    • Invited
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Molecular dynamics simulations of Rad51 recombinase2012

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      The 2nd International conference on New frontier of the research in RecA-family recombinase and its accessory proteins -RecA family 2012-
    • Place of Presentation
      京都
    • Year and Date
      2012-11-28
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] 分子動力学シミュレーションによる Rad51リコンビナーゼの分子モデリンク2012

    • Author(s)
      小甲 裕一、池口 満徳
    • Organizer
      日本蛋白質科学会第12回年会
    • Place of Presentation
      名古屋
    • Year and Date
      2012-06-12
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] A novel rotation mechanism of F1-ATPase based on the water-entropy effect2012

    • Author(s)
      T. Yoshidome, Y. Ito, N. Matubayasi, M.Ikeguchi, M. Kinoshita
    • Organizer
      56th Annual Meeting of Biophysical Society
    • Place of Presentation
      San Diego, USA
    • Year and Date
      2012-02-29
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Theoretical study on rotation mechanism of molecular motor F1-ATPase2012

    • Author(s)
      M. Ikeguchi
    • Organizer
      The 12th KIAS Conference on Protein Structure and Function
    • Place of Presentation
      Seoul, Korea.招待講演
    • Year and Date
      2012-10-13
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] F1 分子モーターの分子シミュレーション2012

    • Author(s)
      池口満徳
    • Organizer
      F1 分子モーターの分子シミュレーション
    • Place of Presentation
      岡崎
    • Year and Date
      2012-10-10
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] F1分子モーターの分子シミュレーション2012

    • Author(s)
      池口 満徳
    • Organizer
      計算物質科学イニシアティブ計算分子科学研究拠点第3回研究会
    • Place of Presentation
      岡崎
    • Invited
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Mechanism of the conformational change of the F1-ATPase β subunit revealed by free-energy simulations2012

    • Author(s)
      Y. Ito, T. Oroguchi, M. Ikeguchi
    • Organizer
      56th Annual Meeting of Biophysical Society
    • Place of Presentation
      San Diego, USA
    • Year and Date
      2012-02-29
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Molecular Dynamics Simulation on Structural Characteristics of Yeast F1-ATPase before and after 16-degree Rotation of Gamma Subunit2012

    • Author(s)
      Yuko Ito, Takashi Yoshidome, Nobuyuki Matsubayashi, Masahiro Kinoshita, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第50回年会
    • Place of Presentation
      名古屋
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Theoretical Study on rotation mechanism of molecular motor F1-ATPase2012

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      The 12th KIAS Conference on Protein Structure and Function
    • Place of Presentation
      Seoul, Korea
    • Invited
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Molecular dynamics simulation on structural characteristics of yeast F1-ATPase before and after 16-degree rotation of gamma subunit2012

    • Author(s)
      Y. Ito, T. Yoshidome, N. Matsubayashi, M.Kinoshita, M. Ikeguchi
    • Organizer
      日本生物物理学会第50回年会
    • Place of Presentation
      名古屋
    • Year and Date
      2012-09-24
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Molecular modeling of Rad51 recombinase using molecular dynamics simulations2011

    • Author(s)
      Yuichi Kokabu, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] A novel rotation mechanism of F1-ATPase based on the water-entropy effect2011

    • Author(s)
      Takashi Yoshidome, Yuko Ito, Nobuyuki Matubayasi, Mitunori Ikeguchi, Masahiro Kinoshita
    • Organizer
      56th Annual Meeting of Biophysical Society
    • Place of Presentation
      姫路
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] A theoretical analysis on water-entropy change in yeast F1-ATPase during 16 degrees rotation of gamma subunit2011

    • Author(s)
      Takashi Yoshidome, Mitunori Ikeguchi, Masahiro Kinoshita
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] Structural analysis of Swi5-Sfr1 complex, mediators for homologous recombination2011

    • Author(s)
      Naoyuki Kuwabara, Hiroshi Hashimoto, Yuichi Kokabu, Mitsunori Ikeguchi, Mamoru Sato, Kouta Mayanagi, Yasuto Murayama, Hiroshi Iwasaki, Toshiyuki Shimizu
    • Organizer
      第11回日本蛋白質科学会年会
    • Place of Presentation
      大阪府
    • Year and Date
      2011-06-08
    • Data Source
      KAKENHI-PROJECT-23770105
  • [Presentation] M. Tanigawara, J. Ito, Y. Ito, R. Watanabe, K. Koyasu, M. Ikeguchi, K. V. Tabata, H.Noji2011

    • Author(s)
      M. Tanigawara, J. Ito, Y. Ito, R. Watanabe, K. Koyasu, M. Ikeguchi, K. V. Tabata, H.Noji
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路
    • Year and Date
      2011-09-18
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Strucutual analysis of Swi5-Sfr1 complex, mediators for homologous recombination.2011

    • Author(s)
      N. Kuwabara, H. Hashimoto, Y. Kokabu, M. Ikeguchi, M. Sato, K. Mayanagi, Y. Murayama, H. Iwasaki, T. Shimizu
    • Organizer
      第11回日本蛋白質科 学会年会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PROJECT-23770105
  • [Presentation] Specific interaction between C terminal domain of β and γ of F1-ATPase is dispensable for torque transmission2011

    • Author(s)
      Mizue Tanigawara, Jotaro Ito, Yuko Ito, Rikiya Watanabe, Kazuma Koyasu, Mitsunori Ikeguchi, Kazuhito V.Tabata, Hiroyuki Noji
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] A theoretical analysis on water-entropy change in yeast F1-ATPase during 16 degrees rotation of gamma subunit2011

    • Author(s)
      T.Yoshidome, M. Ikeguchi, M. Kinoshita
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路
    • Year and Date
      2011-09-18
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Theoretical study on rotational mechanism of F1 molecular motor and a symmetric structures2011

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路(招待講演)
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] Theoretical study on rotational mechanism of F1 molecular motor and asymmetric structures2011

    • Author(s)
      M.Ikeguchi
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路
    • Year and Date
      2011-09-18
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Theoretical study on rotational mechanism of F1 molecular motor and asymmetric structures2011

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路(招待講演)
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Crucial Importance of Water-Entropy Effect for Hot Spots in Protein-Protein Complexes2011

    • Author(s)
      Hiraku Oshima, Satoshi Yasuda, Takashi Yoshidome, Mitsunori Ikeguchi, Masahiro Kinoshita
    • Organizer
      日本生物物理学会第49回年会
    • Place of Presentation
      姫路
    • Data Source
      KAKENHI-PUBLICLY-23118713
  • [Presentation] Investigation of the conformational change of the F1-ATPase (βsubunit) via molecular dynamics simulation2010

    • Author(s)
      Y. Ito, T. Oroguchi, M. Ikeguchi
    • Organizer
      日本生物物理学会第48回年会
    • Place of Presentation
      仙台
    • Year and Date
      2010-09-22
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Investigation of the conformational change of the F_1-ATPase (βsubunit) via molecular dynamics simulation2010

    • Author(s)
      Y.Ito, T.Oroguchi, M.Ikeguchi
    • Organizer
      日本生物物理学会第48回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] F1-ATPase の回転のメカニズムにおける水のエントロピーの重要性2010

    • Author(s)
      吉留崇,伊藤祐子,池口満徳,木下正弘
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      大阪
    • Year and Date
      2010-09-26
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Crucial importance of translational entropy of water in rotation mechanism of F1-ATPase2010

    • Author(s)
      T. Yoshidome, Y. Ito, M. Ikeguchi, M. Kinoshita
    • Organizer
      日本生物物理学会第48回年会
    • Place of Presentation
      仙台
    • Year and Date
      2010-09-22
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Crucial importance of translational entropy of water in rotation mechanism of F1-ATPase2010

    • Author(s)
      T.Yoshidome, Y.Ito, M.Ikeguchi, M.Kinoshita
    • Organizer
      日本生物物理学会第48回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] F1-ATPaseの回転のメカニズムにおける水のエントロピーの重要性2010

    • Author(s)
      吉留崇, 伊藤祐子, 池口満徳, 木下正弘
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Theoretical study on rotation mechanism of molecular motor F_1-ATPase2010

    • Author(s)
      M.Ikeguchi
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Honolulu(米国)(招待講演)
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Theoretical study on rotation mechanism of molecular motor F1-ATPase2010

    • Author(s)
      M.Ikeguchi
    • Organizer
      International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      Honolulu, USA
    • Year and Date
      2010-12-20
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] F1-ATPaseの回転のメカニズムに関する一考察:水のエントロピーの重要性2010

    • Author(s)
      吉留崇, 伊藤祐子, 池口満徳, 木下正弘
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Presentation] Theoretical study on rotation mechanism of molecular motor F1-ATPase2010

    • Author(s)
      Mitsunori Ikeguchi
    • Organizer
      International Symposium on Hydration and ATP Energy(招待講演)
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Presentation] Investigation of the conformational change of the F1-ATPase (β subunit) via molecular dynamics simulation2010

    • Author(s)
      Y.Ito, T.Oroguchi, M.Ikeguchi
    • Organizer
      日本生物物理学会第48回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Crucial importance of translational entropy of water in rotation mechanism of F_1-ATPase2010

    • Author(s)
      T.Yoshidome, Y.Ito, M.Ikeguchi, M.Kinoshita
    • Organizer
      日本生物物理学会第48回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] F1-ATPaseの回転のメカニズムにおける水のエントロピーの重要性2010

    • Author(s)
      吉留崇, 伊藤祐子, 池口満徳, 木下正弘
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Presentation] Investigation of the conformational change of the F1-ATPase (βsubunit) viamolecular dynamics simulation2010

    • Author(s)
      Y.Ito, T.Oroguchi, M.Ikeguchi
    • Organizer
      日本生物物理学会第48回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] 分子シミュレーションで探るDNA結合タンパク質の揺らぎと機能2010

    • Author(s)
      池口満徳
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Theoretical study on rotation mechanism of molecular motor F1-ATPase2010

    • Author(s)
      M.Ikeguchi
    • Organizer
      International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      Honolulu, Hawaii, USA
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Presentation] Theoretical study on rotation mechanism of molecular motor F_1-ATPase2010

    • Author(s)
      M.Ikeguchi
    • Organizer
      International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      Hunolulu, Hawaii, USA
    • Data Source
      KAKENHI-PROJECT-22300102
  • [Presentation] Theoretical study on rotation mechanism of molecular motor F1-ATPase2010

    • Author(s)
      M.Ikeguchi
    • Organizer
      Pacifichem 2010 Symposium "Computational Quantum Chemistry: Theory and Interactions with Experiment"
    • Place of Presentation
      Honolulu(米国)
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] 分裂酵母の相同組換えに機能するSwi5とSfr1の溶液構造解析2009

    • Author(s)
      小甲裕一, 苙口友隆, 村山泰斗, 桑原直之, 山根努, 橋本博, 雲財悟, 清水敏之, 岩崎博史, 池口満徳
    • Organizer
      日本蛋白質学会第9回年会
    • Place of Presentation
      熊本
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Presentation] 分子動力学を用いたF1-ATPaseの構造と機能解析2009

    • Author(s)
      伊藤祐子, 池口満徳
    • Organizer
      日本蛋白質科学会第9回年会
    • Place of Presentation
      熊本全日空ホテルニュースカイ
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Structure analysis of F1-ATPase via molecular dynamics2009

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Organizer
      53rd Annual Meeting of Biophysical Society
    • Place of Presentation
      Boston.
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] 分子動力学シミュレーションとX線溶液散乱を用いたタンパク質ダイナミクスの研究2009

    • Author(s)
      苙口友隆、山田康之、橋本博、雲財悟、清水敏之、佐藤衛、池口満徳
    • Organizer
      第12回SPring-8シンポジウム
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-20051020
  • [Presentation] 分子動力学計算及びX線小角散乱を用いた、好熱菌F1-ATPaseεサブユニットのATP結合に伴う構造変化の研究2009

    • Author(s)
      苙口友隆、山田康之、伊藤和輝、橋本博、雲財悟、佐藤衛、池口満徳
    • Organizer
      第9回日本蛋白質科学会
    • Place of Presentation
      熊本全日空ホテルニュースカイ
    • Data Source
      KAKENHI-PROJECT-20051020
  • [Presentation] Conformational change of F1-ATPase ε subunit upon ATP binding studied by molecular dynamics simulations and X-ray scattering2009

    • Author(s)
      T. Oroguchi, T. Kato-Yamada, H. Hashimoto, S. Unzai, M. Sato, M. Ikeguchi
    • Organizer
      53rd Annual Meeting of Biophysical Society
    • Place of Presentation
      Boston
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Molecular Simulations on Enzymatic Reactions and Structural Dynamics of Fl-ATPase2009

    • Author(s)
      Shigehiko Hayashi, Myco Umemura, Yuko Ito, Mitsunori Ikeguchi
    • Organizer
      International Symposium on "Innovative Nanoscience of Supermolecular Motor Proteins Working in Biomembrane"
    • Place of Presentation
      京都大学
    • Year and Date
      2009-09-09
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Solution structures of DNA recombination mediators Swi5 and Sfr1 in fission yeast studied by small-angle x-ray scattering2009

    • Author(s)
      Y.Kokabu, T.Oroguchi, Y.Murayama, N.Kuwabara, T.Yamane, H.Hashimoto, S.Unzai, T.Shimizu, H.Iwasaki, M.Ikeguchi
    • Organizer
      日本生物物理学会第46回年会
    • Place of Presentation
      徳島
    • Data Source
      KAKENHI-PUBLICLY-21118519
  • [Presentation] Molecular Simulations on Enzymatic Reactions and Structural Dynamics of F1-ATPase2009

    • Author(s)
      S.Hayashi, M.Umemura, Y.Ito, M.Ikeguchi
    • Organizer
      International Symposium on "Innovative Nanoscience of Supermolecular Motor Proteins Working in Biomembrane"
    • Place of Presentation
      京都大学
    • Year and Date
      2009-09-09
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Structural fluctuation and cooperativity in F1-ATPase : a molecular dynamics study2009

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Organizer
      日本生物物理学会第46回年会
    • Place of Presentation
      徳島文理大学
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Conformational change of F_1-ATPase ε subunit upon ATP binding studied by molecular dynamics simulations and X-ray scattering2009

    • Author(s)
      T.Oroguchi, T.Kato-Yamada, H.Hashimoto, S.Unzai, M.Sato, M.Ikeguchi
    • Organizer
      53rd Annual Meeting of Biophysical Society
    • Place of Presentation
      Boston.
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Structure analysis of F1-ATPase via molecular dynamics2009

    • Author(s)
      Y. Ito and M. Ikeguchi
    • Organizer
      53rd Annual Meeting of Biophysical Society
    • Place of Presentation
      Boston
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Structural fluctuation and cooperativity in F1-ATPase: a molecular dynamics study2009

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Organizer
      日本生物物理学会第46回年会
    • Place of Presentation
      徳島文理大学
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Dynamics of EcoO109I studied by small-angle x-ray scattering experiments and molecular dynamics simulations2008

    • Author(s)
      T.Oroguchi, M.Sato, M.Ikeguchi
    • Organizer
      52st Annual Meeting of Biophysical Society
    • Place of Presentation
      Long Beach,California
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] Water-mediated interactions between DNA and the PhoB DNA binding/transactivation domain2008

    • Author(s)
      T.Yaname, H.Okamura, M.Ikeguchi, Y.Nishimura, A.Kidera
    • Organizer
      52st Annual Meeting of Biophysical Society
    • Place of Presentation
      Long Beach,California
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] IP3レセプター・リガンド結合コアとその変異体のIP3非結合時分子動力学計算2008

    • Author(s)
      井田洋一、渕上壮太郎、池口満徳、木寺詔紀
    • Organizer
      第46回日本生物物理学会年会
    • Place of Presentation
      福岡国際会議場、福岡
    • Year and Date
      2008-12-03
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Presentation] Conformational change of F1-ATPase epsilon subunit upon ATP binding studied by molecular dynamics simulations and X-ray scattering2008

    • Author(s)
      T. Oroguchi, T. Kato-Yamada, H. Hashithoto, S. Unzai, M. Ikeguchi
    • Organizer
      日本生物物理学会第46回年会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] センサリーロドプシンII/トランスデューサー複合体の分子動力学研究2008

    • Author(s)
      西方公郎, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      第8回日本蛋白質科学会年会
    • Place of Presentation
      タワーホール船堀、東京
    • Year and Date
      2008-06-10
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Presentation] Dynamics of Eco0109I studied by small-angle x-ray scattering experiments and molecular dynamics simulations2008

    • Author(s)
      T. Oroguchi, M. Sato, M. Ikeguchi
    • Organizer
      52st Annual Meeting of Biophysical Society
    • Place of Presentation
      Long Beach, California
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Molecular Mechanism of ATP hydrolysis reaction in F1-ATPase molecular motor2008

    • Author(s)
      A.R.Shaikh, Y.Ito, M.Ikeguchi, H.Ueno, H.Noji, S.Hayashi
    • Organizer
      日本生物物理学会第46回年会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Structure and function analysis of F1-ATPase bymolecular dynamics2008

    • Author(s)
      Y.Ito, M.Ikeguchi
    • Organizer
      日本生物物理学会第46回年会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] センサリーロドプシンII/トランスデューサー複合体のHAMPドメインのモデル構造 : 分子動力学計算2008

    • Author(s)
      西方公郎、渕上壮太郎、池口満徳、木寺詔紀
    • Organizer
      第46回日本生物物理学会年会
    • Place of Presentation
      福岡国際会議場、福岡
    • Year and Date
      2008-12-04
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Presentation] X線小角散乱及び分子動力学計算を用いたII型制限酵素EcoO1091の溶液中ダイナミクスの解析2008

    • Author(s)
      苙口友隆、橋本博、佐藤衛、池口満徳
    • Organizer
      第8回日本蛋白質科学会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-20051020
  • [Presentation] Water-mediated interactions between DNA and the PhoB DNA binding/transactivation domain2008

    • Author(s)
      T. Yaname, H. Okamura, M. Ikeguchi, Y. Nishimura, A. Kidera
    • Organizer
      52st Annual Meeting of Biophysical Society
    • Place of Presentation
      Long Beach, California
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Dynamics of Eco0109I studied by small-angle X-ray scattering and molecular dynamics simulation2008

    • Author(s)
      T. Oroguchi, H. Hashimoto, T. Shimizu, M. Sato, M. Ikeguchi
    • Organizer
      XXI Congress of the International Union of Crystallography
    • Place of Presentation
      Osaka, Japan
    • Data Source
      KAKENHI-PROJECT-20051020
  • [Presentation] Functional Dynamics of Protein Studied by Combination of Molecular Dynamics Simulations and Small-angle X-ray Scattering Experiments2008

    • Author(s)
      M. Ikeguchi, T. Oroguchi, M. Sato
    • Organizer
      Satellite Meeting of XXI Congress of the International Union of Crystallography on X-ray and Neutron Techniques for Nano-Structural Research
    • Place of Presentation
      SPring-8, Hyogo, Japan
    • Data Source
      KAKENHI-PROJECT-20051020
  • [Presentation] Conformational change of F1-ATPase epsilon subunit upon ATP binding studied by molecular dynamics simulations and X-ray scattering2008

    • Author(s)
      T.Oroguchi, T.Kato-Yamada, H.Hashimoto, S.Unzai, M.Ikeguchi
    • Organizer
      日本生物物理学会第46回年会
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Structure and function analysis of F1-ATPase by molecular dynamics2008

    • Author(s)
      Y. Ito and M. Ikeguchi
    • Organizer
      日本生物物理学会第46回年会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] IP3レセプター・リガンド結合コアのIP3非結合時分子動力学シミュレーション2007

    • Author(s)
      井田洋一, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] F型ATP合成酵素cリングの空孔に存在するリン脂質は何分子か?:分子動力学シミュレーションによる推定2007

    • Author(s)
      渕上壮太郎, 中島恭子, 池口満徳, 木寺詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] タンパク質立体構造変化における経路の多様性とメカニズム:アデニル酸キナーゼの場合2007

    • Author(s)
      渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      日本蛋白質科学会第7回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] X線小角散乱及び分子動力学計算を用いたII型制限酵素Eco0109Iの溶液中ダイナミックスと水和2007

    • Author(s)
      笠口友隆, 佐藤衛, 池口満徳
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] リガンド結合による蛋白質の構造変化の動的過程:時間依存の摂動による線形応答理論2007

    • Author(s)
      成富佑輔, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] センサリーロドプシンIIトランスデューサーHAMPドメイン分子動力学研究2007

    • Author(s)
      西方 公郎, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      日本蛋白質科学会第7回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] リガンド結合による蛋白質の構造変化の動的過程:時間依存の摂動による線形応答理論2007

    • Author(s)
      成富 佑輔, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] センソリーロドプシンIIトランスデューサーHAMPドメインの分子動力学研究2007

    • Author(s)
      西方公郎, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] 分子動力学シミュレーションによるF1-ATPaseの構造変化の研究2007

    • Author(s)
      池口満徳
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] 低分子リガンド結合に伴う構造変化のデータベース解析2007

    • Author(s)
      雨宮 崇之, 小池 亮太郎, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      日本蛋白質科学会第7回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] IP3レセプター・リガンド結合コアのIP3非結合時分子動力学シミュレーション2007

    • Author(s)
      井田 洋一, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] センサリーロドプシンIIトランスデューサーHAMPドメインの分子動力学研究2007

    • Author(s)
      西方 公郎, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      第7回日本蛋白質科学会年会
    • Place of Presentation
      仙台国際センター
    • Year and Date
      2007-05-24
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Presentation] センサリーロドプシンIIトランスデューサーHAMPドメインの分子動力学研究2007

    • Author(s)
      西方 公郎, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      第7回日本蛋白質科学会年会
    • Place of Presentation
      パシフイコ横浜
    • Year and Date
      2007-12-23
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Presentation] 線形応答理論による蛋白質構造変化の記述:内部座標系2007

    • Author(s)
      大森聡, 渕上壮太郎, 池口満徳, 木寺詔紀
    • Organizer
      日本蛋白質科学会第7回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] 分子動力学シミュレーションによるFl-ATPaseの構造変化の研究2007

    • Author(s)
      池口満徳
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Detecting domain motions of proteins in molecular dynamics simulations and normal mode analyses2007

    • Author(s)
      M.Ikeguchi, S.Fuchigami, A.Kidera
    • Organizer
      50th Annual Meeting of Biophysical Society
    • Place of Presentation
      Baltimore, Maryland.
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] センソリーロドプシンIIトランスデューサーHAMPドメインの分子動力学研究2007

    • Author(s)
      西方 公郎, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] F型ATP合成酵素cリングの空孔に存在するリン脂質は何分子か?:分子動力学シミュレーションによる推定2007

    • Author(s)
      渕上 壮太郎, 中島 恭子, 池口 満徳, 木寺 詔紀
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] IP3レセプター・リガンド結合コアのIP3非結合時分子動力学シミュレーション2007

    • Author(s)
      井田 洋一, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      第7回日本蛋白質科学会年会
    • Place of Presentation
      パシフイコ横浜
    • Year and Date
      2007-12-21
    • Data Source
      KAKENHI-PROJECT-19036028
  • [Presentation] PhoBのDNA結合ドメインのダイナミクス解析2007

    • Author(s)
      山根 努, 岡村 英保, 池口 満徳, 木寺 詔紀, 西村 善文
    • Organizer
      日本蛋白質科学会第7回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] X線小角散乱及び分子動力学計算を用いたII型制限酵素EcoO109Iの溶液中ダイナミックスと水和2007

    • Author(s)
      苙口 友隆, 佐藤 衛, 池口 満徳
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] 分子動力学シミュレーションによるF1-ATPaseの構造変化の研究2007

    • Author(s)
      池口 満聴
    • Organizer
      日本生物物理学会第45回年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] 線形応答理論による蛋白質構造変化の記述:内部座標系2007

    • Author(s)
      大森 聡, 渕上 壮太郎, 池口 満徳, 木寺 詔紀
    • Organizer
      日本蛋白質科学会第7回年会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-15076209
  • [Presentation] Annotating protein-folding funnel by landscape profile and network2007

    • Author(s)
      M. Ota, M. Ikeguchi, A. Kidera
    • Organizer
      VII European Symposium of the Protein Society
    • Place of Presentation
      Stockholm
    • Data Source
      KAKENHI-PROJECT-19300101
  • [Presentation] 膜超分子の分子シミュレーション2006

    • Author(s)
      池口満徳、林重彦
    • Organizer
      日本分子生物学会2006フォーラム「分子生物学の未来」シンポジウム「生命科学の革新的ナノバイオロジー」
    • Place of Presentation
      愛知・名古屋
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] Molecular Dynamics Simulations of Protein Folding/Unfolding2006

    • Author(s)
      Ikeguchi, M.
    • Organizer
      The 3rd Open Workshop: Chemistry of Biological Process Created by Water and Biomolecules
    • Place of Presentation
      National Institutes of Natural Sciences, Okazaki (Japan).
    • Data Source
      KAKENHI-PLANNED-18074004
  • [Presentation] 分子動力学計算を使って明らかにした F1-ATPase の回転機構

    • Author(s)
      伊藤 祐子、池口 満徳
    • Organizer
      日本蛋白質科学会第14回年会
    • Place of Presentation
      横浜ワークピア
    • Year and Date
      2014-06-25 – 2014-06-27
    • Invited
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Molecular dynamics simulations of the β subunit in F1-ATPase: Relation between the large-scale structural change and common motifs

    • Author(s)
      Yuko Ito, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第51回年会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2014-09-25 – 2014-09-27
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Course-grained molecular dynamics simulation of V1-ATPase

    • Author(s)
      Hiroki Kashimura, Yuta Isaka, Yuichi Kokabu, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第51回年会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2014-09-25 – 2014-09-27
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] MD シミュレーションによる V1-ATPase の回転機構の解明

    • Author(s)
      井阪 悠太、池口 満徳
    • Organizer
      日本蛋白質科学会第14回年会
    • Place of Presentation
      横浜ワークピア
    • Year and Date
      2014-06-25 – 2014-06-27
    • Data Source
      KAKENHI-PROJECT-25291036
  • [Presentation] Rotation mechanism of V1-ATPase studied by MD simulation

    • Author(s)
      Yuta Isaka, Takeshi Murata, Mitsunori Ikeguchi
    • Organizer
      日本生物物理学会第51回年会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2014-09-25 – 2014-09-27
    • Data Source
      KAKENHI-PROJECT-25291036
  • 1.  KIDERA Akinori (00186280)
    # of Collaborated Projects: 5 results
    # of Collaborated Products: 0 results
  • 2.  NAKAMURA Shugo (90272442)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 0 results
  • 3.  SHIMIZU Kentaro (80178970)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 0 results
  • 4.  渕上 壮太郎 (00381468)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 15 results
  • 5.  SATO Mamoru (60170784)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 9 results
  • 6.  木下 賢吾 (60332293)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 7.  HAYASHI Shigehiko (70402758)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 4 results
  • 8.  OTA Motonori (40290895)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 2 results
  • 9.  KUWABARA Naoyuki (70506253)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 2 results
  • 10.  IWASAKI Hiroshi (60232659)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 2 results
  • 11.  SHIMIZU Toshiyuki (30273858)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 2 results
  • 12.  MURATA Takeshi (80415322)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 3 results
  • 13.  AKIO Kitao (30252422)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 14.  高橋 栄夫 (60265717)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 9 results
  • 15.  木下 正弘
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 3 results
  • 16.  林 智彦
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 17.  木寺 詔記
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 33 results
  • 18.  栗原 裕基
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 19.  佐藤 浩平
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 20.  松林 伸幸
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 2 results
  • 21.  明石 知子
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 3 results
  • 22.  星野 哲久
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 23.  金原 数
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 24.  有田 恭平
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 25.  中西 真
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 26.  小林 直宏
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 27.  村本 裕紀子
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results

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