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HIRATA Fumio  平田 文男

ORCIDConnect your ORCID iD *help
… Alternative Names

平田 文男  ヒラタ フミオ

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Researcher Number 90218785
Other IDs
External Links
Affiliation (based on the past Project Information) *help 2012 – 2013: 立命館大学, 生命科学部, 教授
2007 – 2012: Institute for Molecular Science, 理論・計算分子科学研究領域, 教授
2010: 分子科学研究所, 理論計算分子領域, 教授
2007: 自然科学研究機構, 分子科学研究所・理論計算分子科学研究領域, 教授
2004 – 2006: 分子科学研究所, 理論分子科学研究系, 教授 … More
1997 – 2004: 岡崎国立共同研究機構, 分子科学研究所, 教授
2003: 岡崎研究機構, 分子科学研究所, 教授
1997: 京都大学, 岡崎国立共同研究機構・分子科学研究所, 教授
1995: 岡崎国立共同研究機構, 分子科学研究所, 教授
1990 – 1995: 京都大学, 理学部, 助教授 Less
Review Section/Research Field
Principal Investigator
Physical chemistry / Physical chemistry / Science and Engineering / Science and Engineering
Except Principal Investigator
Science and Engineering / Science and Engineering / Biophysics / Physical chemistry
Keywords
Principal Investigator
RISM理論 / 蛋白質 / 3D-RISM理論 / 分子認識 / 電子移動反応 / 分子動力学 / 蛋白質の揺らぎ / ダイナミクス / 3D-RISM / 分散・共分散行列 … More / 一般化ランジェヴァン理論 / 回転緩和 / 圧力効果 / イオンチャネル / リガンド / アクアポリン / 電極反応 / 疎水水和 / 基準振動解析 / 溶媒効果 / ポリペプチド / vapor-liquid phase transition / protein folding / biomolecules / solvated electrons / RISM theory / solvent effect / electronic structure / chemical reactions in solutions / 塩効果 / 反応速度 / 疎水相互作用 / 部分モル容積 / 安定性 / 電子状態理論 / 水の粘性 / RISM-SCF理論 / 水の特異性 / モード結合理論 / 一般化ランジェヴァン / 気液相転移 / 蛋白質フォールディング / 生体分子 / 溶媒和電子 / 電子状態 / 溶液内化学反応 / 分子シミュレーション / GlpF / 平均力ポテンシャル / グリセリン / KcsAチャネル / 一般化ランジェヴァン方程式 / イオン選択性 / イオン分布 / イオンの選択性 / イオンの透過機構 / 蛋白質の構造揺らぎ / イオン透過機構 / カリウムチャネル / 揺らぎ / 生体機能 / プロトン透過 / M2チャネル / 鳥インフルエンザウイルス / 薬剤設計 / 熱力学積分法 / オーダーパラメタ / 構造揺らぎ / 自由エネルギー計算 / Phospholipase A2 / アスピリン / 創薬 / タンパク質の揺らぎ / 化合物スクリーニング / 蛋白質構造揺らぎ / 化合物スクリーニンク / 知的創薬 / 自由エネルギー / 蛋白質構造揺らき / 3D-RISM/RISM / N,N-deimethylaniline / 再配置エネルギー / 部分モル圧縮率 / 部分モル体積 / 3次元RISM / 酵素反応 / リゾチーム / イオン / プロトン / 水分子 / RISM論理 / 分子論的描像 / 移行係数 / 水和構造 / 非線形応答 / 自由エネルギー曲線 / 非平衡ゆらぎ / 負水和 / 正水和 / RISM方程式 / 非平衡自由エネルギー曲線 / 電極表面の構造 / マ-カスの曲面 / 電子移動速度 / 密度汎関数理論 / 表面赤外分光実験 / 水の構造 / 電極-溶液界面 / Avian Pancreatic Polypeptide / アルコール / Poisson-Boltzmann方程式 / 静電相互作用 / Scaled Particle Theory / 水和自由エネルギー / 過減衰 / ランジェヴァンモード / 協調的運動 / 主成分分析 / 蛋白質の動的構造 / 溶媒の影響 / BPTI / 原子充填構造 / 水素結合ネットワーク / 活性化飛踊 / 低振動モード / 動的水和構造 / 積分方程式理論 / ポテンシャル表面 / 多重極小構造 / 溶媒和自由エネルギ- / 低周波数モ-ド / 協同的運動 / 構造ゆらぎ / メリチン / 生体高分子 … More
Except Principal Investigator
ダイナミクス / 機能 / 生体分子 / 分子シミュレーション / 蛋白質の構造 / 分子科学 / 反応 / 揺らぎ / 蛋白質 / 水溶液 / 物理化学 / 生命現象 / アミロイド / 分子認識 / 自己組織化 / 水 / 化学物理 / 生物物理 / 水と生体分子のダイナミクス / 蛋白質の物性 / 蛋白質の機能 / 水の構造と物性 / 生体高分子 / 蛋白質フォールディング / Replica-RISM理論 / van der Waals理論 / 気液相転移 / 吸着 / スピノーダル / 気液平衡 / 多孔質物質 / REPLICA-RISM理論 / KH理論 / RISM / 水-アルコール溶液 / 液液界面 / 極端条件下における化学反応 / 溶液内分子のNMR化学シフト / 非平衡溶媒和 / NMR化学シフト / 溶液内分子の電子状態 / 統計力学 / 量子化学 / 化学シフト / 非経験的予測 / 生体内分子 / MCSCF法 / RISM-SCF / 溶液内化学過程 / 遷移金属 / 液体統計力学 / ピロリン酸 / 互変異性 / 溶媒和自由エネルギー / 溶媒効果 / 電子状態 / 自由エネルギー面 / メンシュトキン反応 / 積分方程式 / 溶媒 / 有機金属 / 溶媒和 / 化学反応 / ゆらぎ / 局所場 / ケージ化合物 / 緩和時間測定 / NMR分光法 / 蛋白質の動的構造 / 時間分割解析 / ラウエ法 / X線結晶構造解析 Less
  • Research Projects

    (22 results)
  • Research Products

    (289 results)
  • Co-Researchers

    (34 People)
  •  Statistical Mechanics Theory of Ion ChannelPrincipal Investigator

    • Principal Investigator
      HIRATA Fumio
    • Project Period (FY)
      2010 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Ritsumeikan University
      Institute for Molecular Science
  •  Management for Molecular Science of Fluctuations toward Biological Functions

    • Principal Investigator
      TERAZIMA Masahide
    • Project Period (FY)
      2008 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University
  •  Theoretical Study on Conjugated Dynamics of Protein and SolventPrincipal Investigator

    • Principal Investigator
      HIRATA Fumio
    • Project Period (FY)
      2008 – 2012
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Ritsumeikan University
      Institute for Molecular Science
  •  水と生体分子が織り成す生命現象の化学に関する研究の総括

    • Principal Investigator
      桑島 邦博
    • Project Period (FY)
      2003 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      National Institutes of Natural Sciences Okazaki Research Facilities
      The University of Tokyo
  •  生体内化学過程の統計力学理論Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      2003 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Institute for Molecular Science
      Okazaki National Research Institutes
  •  統計力学的密度汎関数理論に基づく液液界面構造の解明

    • Principal Investigator
      A・F Kovalenko (KOVALENKO Andriy・F. / KOVALENKO Andriy F.)
    • Project Period (FY)
      2001 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Okazaki National Research Institutes
  •  蛋白質フォールディング研究の企画調査

    • Principal Investigator
      KUWAJIMA Kunihiro
    • Project Period (FY)
      2001
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Biophysics
    • Research Institution
      The University of Tokyo
  •  理論的アプローチによる遷移金属を含む生体内化学反応の機構解明

    • Principal Investigator
      佐藤 啓文
    • Project Period (FY)
      2000 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      Okazaki National Research Institutes
  •  Molecular theory of solvent effects an chemical reactionsPrincipal Investigator

    • Principal Investigator
      HIRATA Fumio
    • Project Period (FY)
      2000 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Okazaki National Research Institutes
  •  構造規則電極近傍での吸着分子と電子移動反応の理論Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Research Institution
      Okazaki National Research Institutes
  •  理論的アプローチによる遷移金属を含む生体内化学反応の機構解明

    • Principal Investigator
      SATO Hirofumi
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      Okazaki National Research Institutes
  •  構造電極-溶液界面における吸着、電子移動反応の統計力学理論Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1998
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Research Institution
      Okazaki National Research Institutes
  •  有機金属化合物の溶媒和と反応性に関する理論的研究

    • Principal Investigator
      加藤 重樹
    • Project Period (FY)
      1998
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Research Institution
      Kyoto University
  •  電極の原子配列を考慮した電極-溶液界面の統計力学理論Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1997
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Okazaki National Research Institutes
  •  有機金属化合物の溶媒和と反応性に関する理論的研究

    • Principal Investigator
      加藤 重樹
    • Project Period (FY)
      1997
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Kyoto University
  •  局所分子場における溶液のダイナミクス

    • Principal Investigator
      野村 浩康
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for Co-operative Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Nagoya University
  •  時間分解ラウエ法と計算機実験に基く蛋白質の動的構造解析Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Kyoto University
  •  時間分割ラウエ法利用研究

    • Principal Investigator
      三井 幸雄
    • Project Period (FY)
      1993 – 1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Nagaoka University of Technology
  •  時間分解ラウエ法と計算機実験に基づく蛋白質の動的構造解析Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1993
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Kyoto University
  •  生理活性ポプチドの動的水和構造に関するおよび積分方程式理論に基づく研究Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Kyoto University
  •  生理活性ペプチドの動的水和構造のシミュレ-ションによる研究Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Kyoto University
  •  生理活性ペプチドの動的水和構造のシミュレ-ションによる研究Principal Investigator

    • Principal Investigator
      平田 文男
    • Project Period (FY)
      1990
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Kyoto University

All 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Book Patent

  • [Book] 「分子認識の統計力学・実験科学と創薬」、寺嶋正秀編「揺らぎ・ダイナミクスと生体機能」18.1~4 節2013

    • Author(s)
      平田文男
    • Total Pages
      11
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] 分子認識の統計力学・実験科学と創薬2013

    • Author(s)
      平田文男
    • Total Pages
      11
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] 「水と生体分子のハーモニー」。日本化学会編「巨大分子系の計算科学」第15章2012

    • Author(s)
      吉田紀生、丸山豊、清田泰臣、平田文男、今井隆志
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] 「水と生体分子のハーモニー」。日本化学会編「巨大分子系の計算科学」第15章2012

    • Author(s)
      吉田紀生、丸山豊、清田泰臣、平田文男、今井隆志
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] 「新しい分子統計力学・統計的動力学記述法」、日本化学会編「巨大分子系の計算科学」第7章2012

    • Author(s)
      平田文男
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] 「新しい分子統計力学・統計的動力学記述法」、日本化学会編「巨大分子系の計算科学」第7章2012

    • Author(s)
      平田文男
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] 巨大分子系の統計力学2012

    • Author(s)
      平田文男
    • Total Pages
      12
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] 巨大分子系の統計力学2012

    • Author(s)
      平田文男
    • Total Pages
      12
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] Chapter 4 in Bihan and Fukuyama(Ed.) : "Water, the forgotten biological molecule."2011

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Thanyada Rungrotmongkol, Saree Phongphanphanee, Takashi Imai, Fumio Hirata
    • Total Pages
      24
    • Publisher
      Pan Stanford Publishing
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] Chapter 4 in Bihan and Fukuyama (Ed.) : "Water, the forgotten biological molecule."2011

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Thanyada Rungrotmongkol, Saree Phongphanphanee, Takashi Imai, Fumio Hirata
    • Total Pages
      24
    • Publisher
      Pan Stanford Publishing
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] Statistical-mechanics theory of molecular recognition : water and other molecules recognized by protein, in Bihan and Fukuyama(Ed.): "Water, the forgotten biological molecule."2010

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Saree Phongphanphanee, Takashi Imai and Fumio Hirata
    • Publisher
      Pan Stanford Publishing, Singapore
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] Water, theforgottenbiologicalmolecule(Statistical-mechanics theory of molecular recognition : water and other molecules recognized by protein)(in Bihan and Fukuyama(Ed.))(Chapter 4)2010

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Saree Phongphanphanee, Takashi Imai, Fumio Hirata
    • Publisher
      Pan Stanford Publishing
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] 揺らぎと生体機能(別冊・メディカルバイオ)(Statistical Mechanics theory of molecular recognition and ion channels)2010

    • Author(s)
      平田文男, 吉田紀生
    • Publisher
      Saree Phonphanphanee
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] 「分子認識とイオンチャネルの統計力学理論」、「揺らぎと生体機能」第01-3章2010

    • Author(s)
      平田文男、吉田紀生、Saree Phongphanphanee
    • Publisher
      Medical Bio, オーム社
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] "分子認識とイオンチャネルの統計力学理論",Medical Bio 10月別冊揺らぎと生体機能(寺嶋正秀監修)2010

    • Author(s)
      平田文男、吉田紀生、Saree Phongphanphanee
    • Total Pages
      6
    • Publisher
      オーム社
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Book] Statistical-mechanics theory of molecular recognition: water and other molecules recognized by protein, in Bihan and Fukuyama(Ed.): "Water, the forgotten biological molecule."2010

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Saree Phongphanphanee, Takashi Imai and Fumio Hirata
    • Publisher
      Pan Stanford Publishing, Singapore
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] "分子認識とイオンチャネルの統計力学理論",Medical Bio 10月別冊 揺らぎと生体機能、寺嶋正秀 監修2010

    • Author(s)
      平田文男、吉田紀生、Saree Phongphanphanee
    • Total Pages
      6
    • Publisher
      オーム社
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] Model-Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids, in Feig(Ed.) : "Modeling Solvent Environ ments."2010

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Yasuhiro Ikuta, Takashi Imai, Ffumio Hirata
    • Total Pages
      24
    • Publisher
      Willy-VCH
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] "A Statistical Mechanics Theory of Molecular Recognition," in "Water and Biomolecules," Eds, K. Kuwajima, Y. Goto, F. Hirata, M. Kataoka, and M, Terazima2009

    • Author(s)
      T. Imai, N. Yoshida, A. Kovalenko, and F. Hirata
    • Publisher
      Springer
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] "Model-Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids," in "Modeling Solvent Environment," Ed. M. Feig2009

    • Author(s)
      N. Yoshida, Y. Kiyota, Y. Ikuta, T. Imai, and F. Hirata
    • Publisher
      Wiley-VCH
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] A Statistical Mechanics Theory of Molecular Recognition, Chapter 10, in Water and Biomolecules - Physical Chemistry of Life Phenomena.2009

    • Author(s)
      Takashi Imai, Norio Yoshida, Andriy Kovalenko, Fumio Hirata
    • Total Pages
      24
    • Publisher
      Springer Science
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Book] Interfacial Nanochemistry Molecular Science and Engineering at Liquid-Liquid Interfaces(Edited by Watarai, H., Teramae, N., Sawada, T.)2005

    • Author(s)
      Kovalenko, A., Hirata, F.
    • Total Pages
      7
    • Publisher
      Kluwer Academic/Plenum Publishers
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Theoretical Characterization of the "Ridge" in the Supercritical Region in the Fluid Phase Diagram of Water2014

    • Author(s)
      Masaru Matsugami, Norio Yoshida, and Fumio Hirata
    • Journal Title

      J. Chem. Phys

      Volume: 140 Issue: 10 Pages: 1045-1045

    • DOI

      10.1063/1.4867974

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-25410021
  • [Journal Article] The “ambivalent” snug-fit sites in the KcsA potassium channel probed by 3D-RISM theory2014

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Shigetoshi Oiki, and Fumio Hirata
    • Journal Title

      Pure Appl. Chem.

      Volume: 86 Pages: 97-104

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Distinct Configurations of Cations and Water in the Selective Filter of the KcsA Potasium Channel Probed by the 3D-RISM Theory2014

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Shigetoshi Oiki, and Fumio Hirata
    • Journal Title

      J.Mol. Liq.

      Volume: 167 Pages: 578-584

    • DOI

      10.1016/j.molliq.2014.03.050

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-23370067, KAKENHI-PROJECT-24659096, KAKENHI-PROJECT-25410021, KAKENHI-PUBLICLY-26102516, KAKENHI-PROJECT-26253014
  • [Journal Article] The "ambivalent" snug-fit sites in the KcsA potassium channel probed by 3D-RISM theory2014

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Shigetoshi Oiki, and Fumio Hirata
    • Journal Title

      Pure Appl. Chem

      Volume: 86 Pages: 97-1

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Massively Parallel Implementation of 3D-RISM Calculation with Volumetric 3D-FFT2014

    • Author(s)
      Yutaka Maruyama, Norio Yoshida, Hiroto Tadano, Daisuke Takahashi, Mitsuhisa Takahashi, and Fumio Hirata
    • Journal Title

      J. Comp. Chem

      Volume: 35巻 (印刷中) Issue: 18 Pages: 1347-1355

    • DOI

      10.1002/jcc.23619

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Distinct Configurations of Cations and Water in the Selective Filter of the KcsA Potasium Channel Probed by the 3D-RISM Theory2014

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Shigetoshi Oiki, and Fumio Hirata
    • Journal Title

      J. Mol. Liq

      Volume: 167巻 (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Analysis of Biomolecular Solvation Sites by 3D-RISM Theory2013

    • Author(s)
      Daniel Sindhikara and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 117 Issue: 22 Pages: 6718-6718

    • DOI

      10.1021/jp4046116

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Solvent dependence of Stokes shift for organic solute-solvent sysytems : A comparative study by spectroscopy and reference-interaction-site-model-self-consistent-field theory2013

    • Author(s)
      Katsura Nishiyama, Yasuhiro Watanabe, Norio Yoshida, and Fumio Hirata
    • Journal Title

      J. Chem., Phys

      Volume: 139 Issue: 9 Pages: 945-945

    • DOI

      10.1063/1.4819268

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279, KAKENHI-PROJECT-25410021, KAKENHI-PROJECT-25410211
  • [Journal Article] Theoretical Study of Salt Effects on Diels-Alder Reaction of Cyclopentadiene With Methyl Vinyl Ketone Using RISM-SCF Theory2013

    • Author(s)
      N. Yoshida, H. Tanaka, F. Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 117(45) Issue: 45 Pages: 1411-1411

    • DOI

      10.1021/jp4091552

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279, KAKENHI-PROJECT-25410021
  • [Journal Article] Modified Anderson Method for Acceleating 3D-RISM Calculations Using Graphics Processor Unit2012

    • Author(s)
      Maruyama, Yutaka; Hirata, Fumio
    • Journal Title

      J. Chem. Theory Comput

      Volume: 8 Issue: 9 Pages: 3015-3015

    • DOI

      10.1021/ct300355r

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PLANNED-20107008
  • [Journal Article]2012

    • Author(s)
      Maruyama, Yutaka; Hirata, Fumio
    • Journal Title

      J. Chem. Theory Comput

      Volume: 8 Pages: 3015-3021

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2012

    • Author(s)
      Sindhikara, Daniel; Yoshida, Norio; Hirata, Fumio
    • Journal Title

      J. Comp. Chem

      Volume: 33 Pages: 1536-1543

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2012

    • Author(s)
      Hong, Jooyeon; Yoshida, Norio; Chong, Song-Ho; Lee, Chewook; Ham, Sihyun; Hirata, Fumio
    • Journal Title

      J. Chem. Theory Comput

      Volume: 8 Pages: 2239-2246

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2012

    • Author(s)
      Bongsoo Kim and Fumio Hirata
    • Journal Title

      J. Chem. Phys

      Volume: 138

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Solvent Effects on Electronic Structures of Coumarin 153 : Parallel Studies by Means of Spectroscopy and RISM-SCF Calculations2012

    • Author(s)
      Katsura Nishiyama, Norio Yoshida, Fumio Hirata
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: (掲載確定)(未定)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Placevent : An Algorithm for Predicting of Explicit Solvent Atom Distribution - Application to HIV-1 Protease and F-ATP Synthase2012

    • Author(s)
      Sindhikara, Daniel; Yoshida, Norio; Hirata, Fumio
    • Journal Title

      J. Comp. Chem

      Volume: 33 Issue: 18 Pages: 1536-1536

    • DOI

      10.1002/jcc.22984

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PLANNED-20107008
  • [Journal Article] Elucidating the Molecular Origin of Hydrolysis Energy of Pyrophosphate in Water2012

    • Author(s)
      Hong, Jooyeon; Yoshida, Norio; Chong, Song-Ho; Lee, Chewook; Ham, Sihyun; Hirata, Fumio
    • Journal Title

      J. Chem. Theory Comput

      Volume: 8 Issue: 7 Pages: 2239-2239

    • DOI

      10.1021/ct300099e

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PLANNED-20107008, KAKENHI-PUBLICLY-23118719
  • [Journal Article] Structural fluctuation of protein in water around its native state: A new statistical mechanics formulation2012

    • Author(s)
      Bongsoo Kim and Fumio Hirata
    • Journal Title

      J J. Chem. Phys

      Volume: 138 Issue: 5 Pages: 541-541

    • DOI

      10.1063/1.4776655

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002, KAKENHI-PLANNED-20107008
  • [Journal Article] Solvent and Salt Effects on Structural Stability of Human Telomere2011

    • Author(s)
      Y. Maruyama, T. Matsushita, R. Ueoka, F. Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 115 Issue: 10 Pages: 2408-2416

    • DOI

      10.1021/jp1096019

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20107001, KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002
  • [Journal Article] Solvent and Salt Effects on Structural Stability of Human Telomere2011

    • Author(s)
      Yutaka Maruyama, Taku Matsushita, Ryuichi Ueoka, Fumio Hirata
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: Vol.115 Pages: 2408-2416

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. II. Thermodynamic integration along a spatial reaction coordinate2011

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata
    • Journal Title

      Journal of Chemical Physics

      Volume: Vol.134

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] A new approach for investigating the molecular recognition of protein : Toward structure-based drug-design based on the 3D-RISM theory2011

    • Author(s)
      Yasuomi Kiyota, Norio Yoshida, Fumio Hirata
    • Journal Title

      Journal of Chemical Theory and Computation

      Volume: 7 Issue: 11 Pages: 3803-3815

    • DOI

      10.1021/ct200358h

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279, KAKENHI-PUBLICLY-23118719
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. II.Thermodynamic integration along a spatial reaction coordinate2011

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata
    • Journal Title

      Journal of Chemical Physics

      Volume: Vol.134

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Functionality Mapping on Internal Surfaces of Multidrug Transporter AcrB Based on Molecular Theory of Solvation : Implications for Drug Efflux Pathway2011

    • Author(s)
      Takashi Imai, Naoyuki Miyashita, Yuji Sugita, Andriy Kovalenko, Fumio Hirata, Akinori Kidera
    • Journal Title

      J.Phys.Chem.B

      Volume: 115 Issue: 25 Pages: 8288-8295

    • DOI

      10.1021/jp2015758

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-23700356
  • [Journal Article]2011

    • Author(s)
      Imai, Takashi; Miyashita, Naoyuki; Sugita, Yuji; Kovalenko, Andriy; Hirata, Fumio; Kidera, Akinori
    • Journal Title

      J. Phys. Chem. B

      Volume: 115 Pages: 8288-8295

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2011

    • Author(s)
      Y. Kiyota, N. Yoshida, and F. Hirata
    • Journal Title

      J. Chem. Theor. Comp

      Volume: 7 Pages: 3803-3815

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Solvent and Salt Effects on Structural Stability of Human Telomere2011

    • Author(s)
      Yutaka Maruyama, Taku Matsushita, Ryuichi Ueoka, Fumio Hirata
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: Vol.115 Pages: 2408-2416

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory. II. Thermodynamic integration along reaction coordinates2011

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro, Ikuta, Fumio Hirata
    • Journal Title

      J.Chem.Phys.

      Volume: 134 Pages: 44127-44144

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory. II. Thermodynamic integration along reaction coordinates2011

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, and Fumio Hirata
    • Journal Title

      J. Chem. Phys

      Volume: 134 Pages: 4412-4412

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Molecular Recognition Explored by a Statistical-Mechanics Theory of Liquids2011

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Fumio Hirata
    • Journal Title

      Current Pharmaceutical Design

      Volume: 17 Issue: 17 Pages: 1740-1757

    • DOI

      10.2174/138161211796355100

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279, KAKENHI-PUBLICLY-23118719
  • [Journal Article] 分子認識の統計力学と生体機能2011

    • Author(s)
      吉田紀生、丸山豊、Saree Phongphanphanee、清田泰臣、平田文男
    • Journal Title

      生物物理

      Volume: 51 Pages: 222-225

    • NAID

      10029482473

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] The electronic-structure theory of a large-molecular system in solution : Application to the intercalation of proflavine with solvated DNA2011

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Fumio Hirata
    • Journal Title

      Journal of Molecular Liquids

      Volume: Vol.159 Pages: 83-92

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] The electronic-structure theory of a large-molecular system in solution : Application to the intercalation of proflavine with solvated DNA2011

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Fumio Hirata
    • Journal Title

      J.Mole.Liq.

      Volume: 159 Issue: 1 Pages: 83-92

    • DOI

      10.1016/j.molliq.2010.04.019

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279
  • [Journal Article] Affinity of Small Ligands to Myoglobin Studied by the 3D-RISM Theory2011

    • Author(s)
      Yasuomi Kiyota, Norio Yoshida, Fumio Hirata
    • Journal Title

      Journal of Molecular Liquids

      Volume: Vol.159 Pages: 93-98

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] The electronic-structure theory of a large-molecular system in solution : Application to the intercalation of proflavine with solvated DNA2011

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Fumio Hirata
    • Journal Title

      Journal of Molecular Liquids

      Volume: Vol.159 Pages: 83-92

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Affinity of Small Ligands to Myoglobin Studied by the 3D-RISM Theory2011

    • Author(s)
      Yasuomi Kiyota, Norio Yoshida, Fumio Hirata
    • Journal Title

      J.Mole.Liq.

      Volume: 159 Issue: 1 Pages: 93-98

    • DOI

      10.1016/j.molliq.2010.07.016

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002
  • [Journal Article] Affinity of Small Ligands to Myoglobin Studied by the 3D-RISM Theory2011

    • Author(s)
      Yasuomi Kiyota, Norio Yoshida, Fumio Hirata
    • Journal Title

      Journal of Molecular Liquids

      Volume: Vol.159 Pages: 93-98

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Reply to "Comment on 'Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory"2011

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Fumio Hirata
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 115 Issue: 25 Pages: 8367-8369

    • DOI

      10.1021/jp203661z

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279, KAKENHI-PUBLICLY-23118719
  • [Journal Article]2011

    • Author(s)
      Yutaka Maruyama, Taku Matsushita, Ryuichi Ueoka, and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 115 Pages: 2408-2416

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] 分子認識の統計力学と生体機能2011

    • Author(s)
      吉田紀生、丸山豊、Saree Phongphanphanee、清田泰臣、平田文男
    • Journal Title

      生物物理

      Volume: 51 Pages: 222-225

    • NAID

      10029482473

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article]2011

    • Author(s)
      Danniel J. Sindhikara, Norio Yoshida, Mikio Kataoka, Fumio Hirata
    • Journal Title

      J. Mol. Liq

      Volume: 164 Pages: 120-122

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Statistical Mechanics Theory of Molecular Recognition and Pharmaceutical Design2011

    • Author(s)
      Norio Yoshida, Yasuomi Kiyota, Saree Phongphanphanee, Yutaka Maruyama, Takashi Imai, Fumio Hirata
    • Journal Title

      International Review in Physical Chemistry

      Volume: 30 Issue: 4 Pages: 445-478

    • DOI

      10.1007/s12539-011-0104-7

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279, KAKENHI-PUBLICLY-23118719
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory.II.Thermodynamic integration along reaction coordinates2011

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata
    • Journal Title

      J.Chem.Phys.

      Volume: 134 Issue: 4 Pages: 44127-44144

    • DOI

      10.1063/1.3532078

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2011

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, and Fumio Hirata
    • Journal Title

      J. Chem. Phys

      Volume: 134 Pages: 44127-44144

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Solvent penetration in photoactive yellow protein R52Q mutant : a theoretical study2011

    • Author(s)
      Daniel, J.Sindhikara
    • Journal Title

      J.Mol.Liq.

      Volume: 164 Issue: 1-2 Pages: 120-122

    • DOI

      10.1016/j.molliq.2011.04.007

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107006, KAKENHI-PLANNED-20107008, KAKENHI-PROJECT-22245002, KAKENHI-PROJECT-22740279, KAKENHI-PUBLICLY-23118719
  • [Journal Article] Proton Transport through the Influenza A M2 Channel : 3D-RISM Study2010

    • Author(s)
      Saree Phongphonphanee, Thanyada Rungromongkol, Norio Yoshida, Supot Hannongbua, Fumio Hirata
    • Journal Title

      J.Am.Chem.Soc. 132

      Pages: 9782-9788

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory2010

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Fumio Hirata
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: Vol.114 Pages: 7967-7973

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2010

    • Author(s)
      Yutaka Maruyama, Norio Yoshida, and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 114 Pages: 6464-6471

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory. I. Free energy perturbation and thermodynamic integration along coupling parameter2010

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, and Fumio Hirata
    • Journal Title

      J. Chem. Phys

      Volume: 133 Issue: 4 Pages: 441-441

    • DOI

      10.1063/1.3462276

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory.I.Free energy perturbation and thermodynamic integration along coupling parameter2010

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata
    • Journal Title

      J.Chem.Phys. 113

      Pages: 44114-44129

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory2010

    • Author(s)
      Saree Phongphonphanee, Norio Yoshida, and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 114 Issue: 23 Pages: 7967-7967

    • DOI

      10.1021/jp101936y

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I.Free energy perturbation and thermodynamic integration along a coupling parameter2010

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata
    • Journal Title

      Journal of Chemical Physics

      Volume: Vol.133

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article]2010

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, and Fumio Hirata
    • Journal Title

      J. Chem. Phys

      Volume: 113 Pages: 44114-44114

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Proton Transport through the Influenza A M2 Channel: 3D-RISM Study2010

    • Author(s)
      Saree Phongphonphanee, Thanyada Rungromongkol, Norio Yoshida, Supot Hannongbua, and Fumio Hirata
    • Journal Title

      J. Am. Chem. Soc

      Volume: 132 Pages: 9782-9782

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Revisiting the Salt-induced Conformational Change of DNA with 3D-RISM Theory2010

    • Author(s)
      Yutaka Maruyama, Norio Yoshida, and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 114 Issue: 19 Pages: 6464-6464

    • DOI

      10.1021/jp912141u

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article]2010

    • Author(s)
      Saree Phongphonphanee, Thanyada Rungromongkol, Norio Yoshida, Supot Hannongbua, and Fumio Hirata
    • Journal Title

      J. Am. Chem. Soc

      Volume: 132 Pages: 9782-9788

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Revisiting the Salt-Induced Conformational Change of DNA with 3D-RISM Theory2010

    • Author(s)
      Yutaka Maruyama, Norio Yoshida, Fumio Hirata
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: Vol.114 Pages: 6464-6471

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Proton transport through the Influenza A M2 channel : 3D-RISM Study2010

    • Author(s)
      Saree Phongphanphanee, Thanyada Rungrotmongkol, Norio Yoshida, Supot Hannongbua, Fumio Hirata
    • Journal Title

      Journal of the American Chemical Society

      Volume: Vol.132 Pages: 9782-9788

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article]2010

    • Author(s)
      Saree Phongphonphanee, Norio Yoshida, and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 114 Pages: 7967-7967

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Proton transport through the Influenza A M2 channel : 3D-RISM Study2010

    • Author(s)
      Saree Phongphanphanee, Thanyada Rungrotmongkol, Norio Yoshida, Supot Hannongbua, Fumio Hirata
    • Journal Title

      Journal of the American Chemical Society

      Volume: Vol.132 Pages: 9782-9788

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Revisiting the Salt-Induced Conformational Change of DNA with 3D-RISM Theory2010

    • Author(s)
      Yutaka Maruyama, Norio Yoshida, Fumio Hirata
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: Vol.114 Pages: 6464-6471

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory2010

    • Author(s)
      Saree Phongphanphanee, Norio Yoshida, Fumio Hirata
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: Vol.114 Pages: 7967-7973

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Journal Article] Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I. Free energy perturbation and thermodynamic integration along a coupling parameter2010

    • Author(s)
      Tatsuhiko Miyata, Yasuhiro Ikuta, Fumio Hirata
    • Journal Title

      Journal of Chemical Physics

      Volume: Vol.133

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Molecular Thermodynamics of Trifluoroethanol-Induced Helix Formation : Analysis of the Solvation Structure and Free Energy by the 3D-RISM Theory2009

    • Author(s)
      Takashi Imai, Andriy Kovalenko, Fumio Hirata, Akinori Kidera
    • Journal Title

      Interdisciplinary Sciences : Computational Life Sciences 1

      Pages: 156-160

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Ligand Mapping on Protein Surfaces by the 3D-RISM Theory ; Toward Computational Fragment-Based Drug Design2009

    • Author(s)
      Takashi Imai, Koji Oda, Andriy Kovalenko, Fumio Hirata, Akinori Kidera
    • Journal Title

      Journal of the American Chemical Society 131

      Pages: 12430-12440

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Theoretical study of CO escaping pathway in Myoglobin with 3D-RISM Theory2009

    • Author(s)
      Y. Kiyota, R. Hiraoka, N. Yoshida, Y. Maruyama, T. Imai, F. Hirata
    • Journal Title

      Journal of the American Chemical Society 131

      Pages: 3852-3853

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2009

    • Author(s)
      Katusra Nishiyama, Tsuyoshi Yamaguchi, and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 113 Pages: 2800-2804

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2009

    • Author(s)
      Norio Yoshida, Takashi Imai, Saree Phongphanphanee, Andriy Kovalenko, and Fumio Hirata
    • Journal Title

      J. Phys. Chem. B

      Volume: 113 Pages: 873-886

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral-Equation Theory of Liquids2009

    • Author(s)
      N. Yoshida, T. Imai, S. Phongphanphanee, A. Kovalenko, F. Hirata
    • Journal Title

      Journal of Physical Chemistry B 113

      Pages: 873-886

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Solvation Dynamics in Polar Solvents Studied by Means of RISM / Mode-Coupling Theory2009

    • Author(s)
      K. Nishiyama, T. Yamaguchi, F. Hirata
    • Journal Title

      Journal of Physical Chemistry B 113

      Pages: 2800-2804

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2009

    • Author(s)
      Takashi Imai, Andriy Kovalenko, Fumio Hirata, and Akinori Kidera
    • Journal Title

      Interdiscip. Sci. Comput. Life Sic

      Volume: 1 Pages: 156-160

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2009

    • Author(s)
      Yasuomi Kiyota, Ryusuke Hiraoka, Norio Yoshida, Yutaka Maruyama, Takashi Imai, and Fumio Hirata
    • Journal Title

      J. Am. Chem. Soc

      Volume: 131 Pages: 3852-3853

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral- Equation Theory of Liquids2009

    • Author(s)
      Norio Yoshida, Takashi Imai, Saree Phongphanphanee, Andriy Kovalenko, Fumio Hirata
    • Journal Title

      J.Phys.Chem.(Feature article) 113

      Pages: 873-886

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2009

    • Author(s)
      Yui, Toshifumi; Shiiba, Hirohide; Tsutsumi, Yuya; Hayashi, Sachio; Miyata, Tatsuhiko; Hirata, Fumio
    • Journal Title

      J. Phys. Chem. B

      Volume: 114 Pages: 49-58

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2009

    • Author(s)
      Takashi Imai, Koji Oda, Andriy Kovalenko, Fumio Hirata, and Akinori Kidera
    • Journal Title

      J. Am. Chem. Soc

      Volume: 131 Pages: 12430-12440

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Theoretical Study of CO escaping pathway in Myoglobin with the 3D-RISM Theory2009

    • Author(s)
      Yasuomi Kiyota, Ryusuke Hiraoka, Norio Yoshida, Yutaka Maruyama, Takashi Imai, Fumio Hirata
    • Journal Title

      J.Am.Chem.Soc. 131

      Pages: 3852-3853

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory2008

    • Author(s)
      Y. Yonetani, Y. Maruyama, F. Hirata, H. Kono
    • Journal Title

      Journal of Chemical Physics 128

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] An attempt toward the generalized Langevin dynamics simulation2008

    • Author(s)
      B. Kim, S-H. Chong, R. Ishizuka, F. Hirata
    • Journal Title

      Condensed Matter Physics 11

      Pages: 179-190

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] An Intergral Equation Theory for Inhomogeneous Molecular Fluids:The Reference Interaction Site Model Approach2008

    • Author(s)
      R. Ishizuka, S.-H. Chong, and F. Hirata
    • Journal Title

      J. Chem. Phys. 128

      Pages: 34504-34513

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] An intergral equation theory for inhomogeneous molecular fluids : The reference interaction site model approach2008

    • Author(s)
      R. Ishizuka, S.-H. Chong, F. Hirata
    • Journal Title

      Journal of Chemical Physics 128

      Pages: 34504-34513

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] On the proton exclusion of aquaporins : A statistical mechanics study2008

    • Author(s)
      Saree Phongphonphanee, Norio Yoshida, Fumio Hirata
    • Journal Title

      J.Am.Chem.Soc. 130

      Pages: 1540-1541

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Combination of Molecular Dynamics Method and 3D-RISM Theory for Conformational Sampling of Large Flexible Molecules in Solution2008

    • Author(s)
      T. MIYATA and F. HIRATA
    • Journal Title

      J. Compt. Chem. 29

      Pages: 871-882

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Detecting Reaction Intermediate in Enzymatic Reaction of Ce144A, GH family 44 endoalucanase with 3D-RISM Theory2008

    • Author(s)
      Y. Ikuta, S. Karita, Y. Kitago, N. Watanabe, F. Hirata
    • Journal Title

      Chemical Physics Letters 465

      Pages: 279-284

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] On the Proton Exclusion of Aquaporins: A statistical Mechanics Study2008

    • Author(s)
      S. PHONPHANPHANEE, N. YOSHIDA, and F. HIRATA
    • Journal Title

      J. Am. Chem. Soc. (Communications) 130

      Pages: 1540-1541

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article]2008

    • Author(s)
      Y. Ikuta, S. Karita, Y. Kitago, N. Watanabe, and F. Hirata
    • Journal Title

      Chem. Phys. Lett

      Volume: 465 Pages: 279-284

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article]2008

    • Author(s)
      N. Yoshida, T. Ishida, and F. Hirata
    • Journal Title

      J. Phys. Chem

      Volume: 112 Pages: 433-440

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Theoretical Study of Temperature and Solvent Dependence of the Free Energy Surface of the Intramolecular Electron Transfer Based on the RISM-SCF Theory, Application to 1, 3-Dinitrobenzene Radical Anion in Acetonitrile and Methanol2008

    • Author(s)
      N. YOSHIDA, T. ISHIDA, and F. HIRATA
    • Journal Title

      J. Phys. Chem., (Hynes issue) 112

      Pages: 433-440

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article]2008

    • Author(s)
      Yoshiteru Yonetani, Yutaka Maruyama, Fumio Hirata, and Hidetoshi Kono
    • Journal Title

      J. Chem. Phys

      Volume: 128

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Journal Article] Structure of Electrolyte Solutions Sorbed in Carbon Nanospaces, Studied by the Replica RISM Theory2007

    • Author(s)
      A. TANIMURA, A. KOVALENKO, and F. HIRATA
    • Journal Title

      Langmuir 23(3)

      Pages: 1507-1517

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Probing Cations Recognized by a Crown Ether with the 3D-RISM Theory2007

    • Author(s)
      Y. IKUTA, Y. MARUYAMA, M. MATSUGAMI, and F. HIRATA
    • Journal Title

      Chem. Phys. Lett. 433(4-6)

      Pages: 403-408

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Selective lon-Binding by Protein Probed with the Statistical Mechanical Integral Equation Theory2007

    • Author(s)
      N. YOSHIDA, S. PHONPHANPHANEF, and F. HIRATA
    • Journal Title

      J. Phys. Chem. B 111(17)

      Pages: 4588-4595

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Statistical-Mechanical Theory of Ultrasonic Absorption in Molecular Liquids2007

    • Author(s)
      A. E. Kobryn and F. Hirata
    • Journal Title

      J.Chem.Phys. 126(4)

      Pages: 44504-44504

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076101
  • [Journal Article] Theoretical Study of the Partial Molar Volume Change Associated with Pressure-Induced Structural Transition of Ubiquitin2007

    • Author(s)
      T. IMAI, S. OHYAMA, A. Kovalenko, and F. HIRATA
    • Journal Title

      Protein Science 16

      Pages: 1927-1933

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Statistical-Mechanical Theory of Ultrasonic Absorption in Molecular Liquids2007

    • Author(s)
      A. E. KOBRYN and F. HIRATA
    • Journal Title

      J. Chem. Phys. 126(4)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] A Statistical Mechanics Study on Equilibrium Water Distribution in the Channel of Aquaporin2007

    • Author(s)
      S. PHONPHANPHANEE, N. YOSHIDA, and F. HIRATA
    • Journal Title

      Chem. Phys. Lett. 449

      Pages: 196-201

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Locating Missing Water Molecules in Protein Cavities by the Three- Dimensional Reference Interaction Site Model Theory of Molecular Solvation2007

    • Author(s)
      T. IMAI, R. HIRAOKA, A. KOVALENKO, and F. HIRATA
    • Journal Title

      Proteins-Structure Function and Bioinformatics 66(4)

      Pages: 804-813

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Theoretical Study of Solvent Effect on Diastereo Selectivity in Protonation of Methyl 3-Fluorobutanoate Anion by Ethanol: Application of the 3D-RISM Theory2007

    • Author(s)
      Y. IKUTA, Y. MARUYAMA, F. HIRATA, and S. TOMODA
    • Journal Title

      J. Mol. Struct.-Theochem 811(1-3)

      Pages: 183-190

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Theoretical Study of the Cosolvent Effect on the Pratial Molar Volume Change of Staphylococcal Nuclease Associated with Pressure Denaturation2007

    • Author(s)
      T. YAMAZAKI, T. IMAI, F. HIRATA, and A. KOVALENKO
    • Journal Title

      J. Phys. Chem. B 111(5)

      Pages: 1206-1212

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Three-Dimensional Distribution Function Theory for the Prediction of Protein-Ligand Binding Sites and Affinities: Application to the Binding of Noble Gases to Hen Egg-White Lysozyme in Aqueous Solution2007

    • Author(s)
      T. IMAI, R. HIRAOKA, T. SETO, A. KOVALENKO, and F. HIRATA
    • Journal Title

      J. Phys. Chem. B 111

      Pages: 11585-11585

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Selective ion-binding by protein probed with the 3D-RISM theory2006

    • Author(s)
      N.Yoshida, S.Phongphanphanee, Y.Maruyama, T.Imai, F.Hirata
    • Journal Title

      J. Am. Chem. Soc. (communication) 128

      Pages: 12042-12043

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] A New Method to Determine Electrostatic Potential Around a Macromolecule in Solution from Molecular Wave Function2006

    • Author(s)
      N.Yoshida, F.Hirata
    • Journal Title

      J. Comput. Chem. 27

      Pages: 453-462

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Ab Initio Theoretical Study of Temperature and Density Dependence of Molecular and Thermodynamic Properties of Water in the Entire Fluid Region : Autoionization Processes2006

    • Author(s)
      N.Yoshida, R.Ishizuka, H.Sato, F.Hirata
    • Journal Title

      J. Phys. Chem. 110

      Pages: 8451-8458

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Theoretical Study of Volume Changes Accompanying Xenon-Lysozyme Binding : Implication for Molecular Mechanism of Pressure Reversal of Anesthesia2006

    • Author(s)
      T.Imai, H.Isogai, T.Seto, A.Kovalenko, F Hirata
    • Journal Title

      J Phys. Chem. B 110

      Pages: 12149-12154

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] A theoretical analysis on hydration thermodynamics of proteins2006

    • Author(s)
      T.Imai, Y.Harano, M.Kinoshita, A.Kovalenko, F.Hirata
    • Journal Title

      J Chem. Phys. 125

      Pages: 24911-24911

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Hydration Structure and Thermodynamics of Protein Studied by the 3D-RISM Theory2006

    • Author(s)
      T.Imai, A.Kovalenko, F.Hirata
    • Journal Title

      J Mol. Simulation 32

      Pages: 817-824

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Solvation dynamics in water investigated by RISM/mode-coupling theory2005

    • Author(s)
      K.Nishiyama, T.Yamaguchi, F.Hirata, T.Okada
    • Journal Title

      J.Mol.Liquid 119

      Pages: 63-66

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Partial Molar Volume of Proteins Studied by the Three-Dimensional Reference Interaction Site Model Theory2005

    • Author(s)
      T.Imai, A.Kovalenko, F.Hirata
    • Journal Title

      J.Phys.Chem.B 109

      Pages: 6658-6665

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] A molecular theory of liquid interfaces2005

    • Author(s)
      A.Kovalenko, F.Hirata
    • Journal Title

      Phys.Chem.Chem.Phys. 7

      Pages: 1785-1793

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Water Molecules in a Protein Cavity Detected by a Statistical-Mechanical Theory2005

    • Author(s)
      T.Imai, R.Hiraoka, A.Kovalenko, F.Hirata
    • Journal Title

      J.Am.Chem.Soc.(Communication) 127

      Pages: 15334-15335

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Pressure dependence of diffusion and orientational relaxation time for acetonitrile and methanol in water : RISM/mode-coupling study2005

    • Author(s)
      A.Kobryn, T.Yamaguchi, F.Hirata
    • Journal Title

      J.Mol.Liquid 199

      Pages: 7-13

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Hydrophobic Effects on Partial Molar Volume2005

    • Author(s)
      T.Imai, F.Hirata
    • Journal Title

      J.Chem.Phys. 122

      Pages: 94509-94509

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Site-site memory equation approach in study of density / pressure dependence of translational diffusion coefficient and rotational relaxation time of polar molecular solutions : acetonitrile in water, methanol in water, and methanol in acetomtrile2005

    • Author(s)
      A.Kobryn, T.Yamaguchi, F.Hirata
    • Journal Title

      J.Chem.Phys. 122

      Pages: 184511-184524

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Theoretical Study of Volume Changes Associated with the Helix-Coil Transition of an Alanine-rich Peptide in Aqueous Solutions2005

    • Author(s)
      T.Imai, T.Takekiyo, A.Kovalenko, F.Hirata, M.Kato, Y.Taniguchi
    • Journal Title

      Bioplymers 79

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Criticality of a liquid-vapor interface from an inhomogeneous integral equation theory2005

    • Author(s)
      I.Omelyan, F.Hirata, A.Kovalenko
    • Journal Title

      Phys.Chem.Chem.Phys. 7

      Pages: 4132-4137

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] A molecular theory of liquid interface2005

    • Author(s)
      A.Kovalenko, F.Hirata
    • Journal Title

      Phys.Chem.Chem.Phys. 7

      Pages: 1785-1793

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Distortion of Electronic Structure in Solvated Molecules : Tautomeric Equilibrium of 2-Pyridone and 2-Hydroxypridine in Water Studied by the RISM-SCF/MCSCF Method.2004

    • Author(s)
      Sato, H., Hirata, F., Sakaki, S.
    • Journal Title

      J.Phys.Chem. A108

      Pages: 2097-2102

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Microscopic description of a liquid-vapor interface by an inhomogeneous integral equation theory.2004

    • Author(s)
      Omelyan, I., Kovalenko, A., Hirata, F.
    • Journal Title

      Chem.Phys.Lett. 397

      Pages: 368-373

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Combination of the Replica-Exchange Monte Carlo Method and the Reference Interaction Site Model Theory for Simulating a Peptide Molecule in Aqueous Solution.2004

    • Author(s)
      Mitsutake, A., Kinoshita, M., Okamoto, Y., Hirata, F.
    • Journal Title

      J.Phys.Chem.B 108

      Pages: 19002-19012

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Thereoretical Study on Electronic and Solvent Reorganization Associated with a Charging Process of Organic Compounds : 2.A New Decomposition Procedure into Electrostatic and Non-electrostatic Responses.2004

    • Author(s)
      Sato, H., Kobori, Y., Tero-Kubota, S., Hirata, F.
    • Journal Title

      J.Phys.Chem.B 108

      Pages: 11709-11715

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Superexchange Electron Tunneling Mediated by Solvent Molecules : Pulsed Electron paramagnetic Resonance Study on Electronic Coupling in Solvent-Separated Radical Ion.2004

    • Author(s)
      Kobori, Y., Yago, T., Akiyama, K., Tero-Kubota, S., Sato, H., Hirata, F., J.R.Norris, Jr.
    • Journal Title

      J.Phys.Chem.B 108

      Pages: 10226-10240

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Solvation Thermodynamics of Protein Studied by the 3D-RISM Theory.2004

    • Author(s)
      Imai, T., Kovalenko, A., Hirata, F.
    • Journal Title

      Chem.Phys.Lett. 395

      Pages: 1-6

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] A mode-coupling analysis of the translational and rotational diffusion of polar liquids ; acetonitrile and water.2004

    • Author(s)
      Yamaguchi, T., Chong, S-H., Hirata, F.
    • Journal Title

      J.Mol.Liquids 112/3

      Pages: 117-124

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Journal Article] Molecular description of electrolyte solution in a carbon aerogel electrode.2003

    • Author(s)
      Kovalenko, A, Hirata, F.
    • Journal Title

      Cond.Matt.Phys. 6

      Pages: 583-609

    • Data Source
      KAKENHI-PROJECT-15076212
  • [Patent] Analysis of Biomolecular Solvation site by the 3D-RISM Theory2013

    • Inventor(s)
      Hirata, Fumio; Sindhikara, Daniel, Jon
    • Industrial Property Rights Holder
      Hirata, Fumio; Sindhikara, Daniel, Jon
    • Industrial Property Rights Type
      特許
    • Filing Date
      2013-04-05
    • Overseas
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Patent] 溶液中の生体高分子の構造揺らぎとダイナミクスを 記述する方程式2013

    • Inventor(s)
      平田文男;Kim,Bongsoo
    • Industrial Property Rights Holder
      平田文男; Kim Bongsoo
    • Filing Date
      2013-01-23
    • Overseas
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Patent] 溶液中の生体高分子の構造揺らぎとダイナミクスを記述する方程式2013

    • Inventor(s)
      平田文男
    • Industrial Property Rights Holder
      平田文男
    • Industrial Property Rights Type
      特許
    • Filing Date
      2013-01-23
    • Overseas
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Patent] 溶液中の生体高分子の構造揺らぎとダイナミクスを 記述する方程式2013

    • Inventor(s)
      平田文男
    • Industrial Property Rights Holder
      平田文男
    • Industrial Property Rights Type
      特許
    • Filing Date
      2013-01-23
    • Overseas
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Patent] 溶液中の生体高分子の構造揺らぎとダイナミクスを記述する方程式2013

    • Inventor(s)
      平田文男 ; Kim, Bongsoo
    • Industrial Property Rights Holder
      平田文男 ; Kim Bongsoo
    • Industrial Property Rights Type
      特許
    • Filing Date
      2013-01-23
    • Overseas
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Patent] Analysis of Biomolecular Solvation site by the 3D-RISM Theory2013

    • Inventor(s)
      Hirata, Fumio; Sindhikara, Daniel, Jon
    • Industrial Property Rights Holder
      Hirata, Fumio; Sindhikara, Daniel, Jon
    • Filing Date
      2013-04-05
    • Overseas
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Structural Fluctuation of Proetin in Water around Its Native State : A New Statistical Mechanics Formulation2014

    • Author(s)
      Fumio Hirata
    • Organizer
      The 13th KIAS Protein Folding Winter School
    • Place of Presentation
      Gohan, Korea
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Role of water to convert 'non-biological' fluctuation to the 'biological' one2014

    • Author(s)
      Fumio Hirata
    • Organizer
      The 13th KIAS Protein Folding Winter School
    • Place of Presentation
      Gohan, Korea
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Structure, Fluctuation, and Function of Biomolecules in Solution Explored by the 3D-RISM/RISM Theory2014

    • Author(s)
      Fumio Hirata
    • Organizer
      The 18th International Annual Symposium on Computational Science and Engineering (ANSCSE18)
    • Place of Presentation
      Pattaya, Thailand
    • Year and Date
      2014-03-15
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 水は生命の神様である2013

    • Author(s)
      平田文男
    • Organizer
      シンポジウム「生命進化と水」
    • Place of Presentation
      立命館大学BKCエポック立命21、滋賀県草津市
    • Year and Date
      2013-01-28
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 液体中の化学、化学における液体論2013

    • Author(s)
      平田文男
    • Organizer
      第36回溶液化学シンポジウム
    • Place of Presentation
      北海道大学学術交流会館(北海道)
    • Year and Date
      2013-10-10
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Role of water to convert 'non-biological' fluctuation to the 'biological' one2013

    • Author(s)
      Fumio Hirata
    • Organizer
      6th Japan-Korea Seminars on Biomolecular Sciences : Experiments and Simulation
    • Place of Presentation
      Okazaki Conference Center(愛知県)
    • Year and Date
      2013-11-26
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Ligand Binding by Protein Probed with the 3D-RISM Microscope2013

    • Author(s)
      平田文男
    • Organizer
      次世代の物質科学・ナノサイエンスを探る
    • Place of Presentation
      北海道大学百年記念会館、北海道
    • Year and Date
      2013-01-11
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Structural Fluctuation of Proetin in Water around Its Native State: A New Statistical Mechanics Formulation2013

    • Author(s)
      Fumio Hirata
    • Organizer
      Fifth Korea-Japan Seminars on Biomolecular Sciences - Experiments and Simulations
    • Place of Presentation
      Gohan, Korea
    • Year and Date
      2013-02-26
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Ligand Binding by Protein Probed with the 3D-RISM Microscope2013

    • Author(s)
      平田文男
    • Organizer
      「次世代の物質科学・ナノサイエンスを探る」研究会
    • Place of Presentation
      北海道大学百年記念会館、北海道
    • Year and Date
      2013-01-11
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 3D-RISM/RISM Theory: Present and Future2013

    • Author(s)
      Fumio Hirata
    • Organizer
      2013 Workshop on 3D-RISM/RISM: Present and Future
    • Place of Presentation
      立命館大学BKCエポック立命21、滋賀県
    • Year and Date
      2013-03-26
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Protein, Fluctuation, Molecular Recognition, and Water2013

    • Author(s)
      Fumio Hirata
    • Organizer
      International Symposium on Protein Folding and its Biological Significance,
    • Place of Presentation
      岡崎市、岡崎コンファレンスセンター、愛知県
    • Year and Date
      2013-03-06
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Ligand Binding by Protein Probed with the 3D-RISM Microscope2012

    • Author(s)
      F. Hirata
    • Organizer
      The ACS Symposium on "Continuum Solvation Modeling in Biological Systems
    • Place of Presentation
      Philadelphia, USA
    • Data Source
      KAKENHI-ORGANIZER-20107001
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2012

    • Author(s)
      Fumio Hirata
    • Organizer
      The 71^<st> Okazaki International Conference: New perspectives on molecular science of glycoconjugate
    • Place of Presentation
      岡崎コンファレンスセンター(愛知県)
    • Year and Date
      2012-10-13
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Ligand Binding by Protein Probed with the 3D-RISM Microscope2012

    • Author(s)
      Fumio Hirata
    • Organizer
      The ACS Symposium on "Continuum Solvation Modeling in Biological Systems
    • Place of Presentation
      Philadelphia, USA
    • Year and Date
      2012-08-20
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Theory of Molecular Recognition and Its Application to Pharmaceutical Design2012

    • Author(s)
      Fumio Hirata
    • Organizer
      12th Eurasia Conference on Chemical Sciences EuAsC2S-12
    • Place of Presentation
      Corfu, Greece
    • Year and Date
      2012-04-20
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2012

    • Author(s)
      Fumio Hirata
    • Organizer
      The 71^<st> Okazaki International Conference: New perspectives on molecular science of glycoconjugate
    • Place of Presentation
      岡崎コンファレンスセンター(愛知県)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2012

    • Author(s)
      Fumio Hirata
    • Organizer
      Asian Core symposium on "The 4^<th> Japan-Korea Seminar on Biomolecular Sciences: Experiment and Simulation
    • Place of Presentation
      国際会議場(奈良県)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 分子認識の統計力学(3D-RISM/RISM)と構造生物学2012

    • Author(s)
      平田文男
    • Organizer
      第12回蛋白質科学シンポジウム「YouTube時代の構造生物学」
    • Place of Presentation
      名古屋国際会議場、愛知県
    • Year and Date
      2012-06-22
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 分子認識の統計力学(3D-RISM/RISM)と構造生物学2012

    • Author(s)
      平田文男
    • Organizer
      第12回蛋白質科学シンポジウム「YouTube 時代の構造生物学」
    • Place of Presentation
      名古屋国際会議場(愛知県)
    • Year and Date
      2012-06-22
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Ligand Binding by Protein Probed with 3D-RISM Microscop2012

    • Author(s)
      Fumio Hirata
    • Organizer
      Foundation of Molecular Modeling and Simulation(FOMMS)
    • Place of Presentation
      Mt. Hood, USA
    • Year and Date
      2012-07-25
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Ligand Binding by Protein Probed with 3D-RISM Microscope2012

    • Author(s)
      Fumio Hirata
    • Organizer
      Foundation of Molecular Modeling and Simulation(FOMMS)
    • Place of Presentation
      Mt. Hood, Oregon, USA
    • Year and Date
      2012-07-25
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Theory Featuring Chemical Specificity and Physical Universality2012

    • Author(s)
      Fumio Hirata
    • Organizer
      International Conference on Pure and Applied Chemistry: The key for our Future
    • Place of Presentation
      Flic-en-Flac, Mauritius
    • Year and Date
      2012-07-04
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Theory of Molecular Recognition and Its Application to Pharmaceutical Design2012

    • Author(s)
      Fumio Hirata
    • Organizer
      12^<th> Eurasia Conference on Chemical Sciences EuAsC2S-12
    • Place of Presentation
      Corfu, Greece
    • Year and Date
      2012-04-20
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a theory featuring chemical 'specificity' and physical 'universality'2012

    • Author(s)
      Fumio Hirata
    • Organizer
      "Israel -Japan Joint Symposium on Biophysics: Protein Dynamics: From single molecules to whole cell" in Biophysics Society meeting in Japan
    • Place of Presentation
      兵庫県立大学(兵庫県)
    • Year and Date
      2012-09-16
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] The molecular mechanism of the pressure denaturation of protein clarified by the 3D-RISM theory2012

    • Author(s)
      Fumio Hirata
    • Organizer
      7th International Conference on High Pressure Bioscience and Biotechnology
    • Place of Presentation
      ピアザ淡海、滋賀県
    • Year and Date
      2012-10-29
    • Invited
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2012

    • Author(s)
      Fumio Hirata
    • Organizer
      Asian Core symposium on "The 4^<th> Japan-Korea Seminar on Biomolecular Sciences : Experiment and Simulation"
    • Place of Presentation
      Nara, Nara
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2012

    • Author(s)
      Fumio Hirata
    • Organizer
      Asian Core symposium on "The 4^<th> Japan-Korea Seminar on Biomolecular Sciences : Experiment and Simulation,"
    • Place of Presentation
      Nara, Nara
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2011

    • Author(s)
      Fumio Hirata
    • Organizer
      32th International Conference on Solution Chemistry
    • Place of Presentation
      La Grande Motte, France
    • Year and Date
      2011-08-28
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Third Korea-Japan Seminars on Biomolecular Sciences: - Experiments and Simulations
    • Place of Presentation
      Jeju, Korea
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 分子認識の統計力学と生体機能2011

    • Author(s)
      平田文男
    • Organizer
      自然科学研究機構岡崎統合バイオサイエンスセンター「10周年記念シンポジウム」
    • Place of Presentation
      岡崎コンファレンスセンター(愛知県)
    • Year and Date
      2011-02-12
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a theory featuring chemical 'specificity' and physical 'universality'2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Israel-Japan Joint Symposium on Biophysics : Protein Dynamics : From single molecules to whole cell in Biophysics Society meeting in Japan
    • Place of Presentation
      Himeji, Hyogo
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2011

    • Author(s)
      平田文男
    • Organizer
      液体溶液の微視的構造からダイナミクスまで~最近の研究結果から見えてくるもの
    • Place of Presentation
      松山(愛媛県)
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Collaboration between computer and computational scientists make high performance computing on the K-computer a reality2011

    • Author(s)
      Fumio Hirata
    • Organizer
      ISC'11 HPC in Asia Workshop
    • Place of Presentation
      Hamburg, Germany
    • Year and Date
      2011-06-18
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Theory of Molecular Recognition and its Application to Drug Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      International Conference on Computer Science (ICCS) 2011
    • Place of Presentation
      Singapore
    • Year and Date
      2011-06-02
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Third Korea-Japan Seminars on Biomolecular Sciences-Experiments and Simulations
    • Place of Presentation
      Lotte hotel, Jeju, Korea
    • Year and Date
      2011-02-27
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a theory featuring chemical 'specificity' and physical 'universality'2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Statistical Mechanics Approaches to Biomolecular Applications
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2011-06-13
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2011

    • Author(s)
      Fumio Hirata
    • Organizer
      The 71^<st> Okazaki International Conference : New perspectives on molecular science of glycoconjugate
    • Place of Presentation
      Okazaki, Aichi
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution,""32th International Conference on Solution Chemistry2011

    • Author(s)
      Fumio Hirata
    • Organizer
      32th International Conference on Solution Chemistry
    • Place of Presentation
      La Grande Motte, France
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Electronic structure theory of biomolecule in solution2011

    • Author(s)
      Norio Yoshida, Fumio Hirata
    • Organizer
      Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists
    • Place of Presentation
      University of Santiago, Santiago de compostela, Spain
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Solvent Effects on Electronic Structures of Coumarin 153. I. RISM-SCF Analysis of the Solvent Distribution and Electronic Properties2011

    • Author(s)
      Norio Yoshida, Katsura Nishiyama, Fumio Hirata
    • Organizer
      EMLG/JMLG Annual Meeting 2011
    • Place of Presentation
      University of Warsaw, Warsaw, Poland
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Solvent Effects on Electronic Structures of Coumarin 153 : RISM-SCF Analysis2011

    • Author(s)
      吉田紀生, 西山桂, 平田文男
    • Organizer
      分子科学討論会2011
    • Place of Presentation
      札幌コンベンションセンター,札幌市(北海道)
    • Year and Date
      2011-09-20
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Theory of Molecular Recognition and its Application to Drug Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      ICCS2011
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics Theory of Molecular Recognition and its Application to Pharmaceutical Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Telluride Wrokshop on Free Energy Simulation
    • Place of Presentation
      Telluride, Colorado, USA
    • Year and Date
      2011-07-03
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a theory featuring chemical 'specificity'and physical 'universality'2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Israel-Japan Joint Symposium on Biophysics : Protein Dynamics : From single molecules to whole cell" in Biophysics Society meeting in Japan
    • Place of Presentation
      兵庫県立大学(兵庫県)
    • Year and Date
      2011-09-16
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a theory featuring chemical 'specificity' and physical 'universality'2011

    • Author(s)
      Fumio Hirata
    • Organizer
      "Israel-Japan Joint Symposium on Biophysics : Protein Dynamics : From single molecules to whole cell" in Biophysics Society meeting in Japan
    • Place of Presentation
      Himeji, Hyogo
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2011

    • Author(s)
      Fumio Hirata
    • Organizer
      32th International Conference on Solution Chemistry
    • Place of Presentation
      La Grande Motte, France
    • Year and Date
      2011-08-28
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 分子認識の統計力学と生体機能2011

    • Author(s)
      平田文男
    • Organizer
      自然科学研究機構岡崎統合バイオサイエンスセンター「10周年記念シンポジウム」
    • Place of Presentation
      岡崎コンファレンスセンター(愛知県)
    • Year and Date
      2011-02-12
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution," "32th International Conference on Solution Chemistry2011

    • Author(s)
      Fumio Hirata
    • Organizer
      32th International Conference on Solution Chemistry
    • Place of Presentation
      La Grande Motte, France
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a theory featuring chemical 'specificity' and physical 'universality'2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Statistical Mechanics Approaches to Biomolecular Applications
    • Place of Presentation
      Seoul, Korea
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 高速3D-RISMの開発について2011

    • Author(s)
      平田文男
    • Organizer
      CMSI・計算分子科学研究拠点、第2回研究会
    • Place of Presentation
      神戸市(兵庫県)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a theory featuring chemical 'specificity 'and physical 'universality'2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Statistical Mechanics Approaches to Biomolecular Applications
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2011-06-13
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Electronic structure theory of biomolecule in solution2011

    • Author(s)
      Norio Yoshida, Fumio Hirata
    • Organizer
      Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists
    • Place of Presentation
      University of Santiago, Santiago de compostela, Spain
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Collaboration between computer and computational scientists make high performance computing on the K-computer a reality2011

    • Author(s)
      Fumio Hirata
    • Organizer
      ISC'11 HPC in Asia Workshop
    • Place of Presentation
      Hamburg, Germany
    • Year and Date
      2011-06-18
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics Theory of Molecular Recognition and its Application to Pharmaceutical Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Telluride Wrokshop on Free Energy Simulation
    • Place of Presentation
      Telluride, Colorado, USA
    • Year and Date
      2011-07-03
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Solvent Effects on Electronic Structures of Coumarin 153 : RISM-SCF Analysis2011

    • Author(s)
      吉田紀生, 西山桂, 平田文男
    • Organizer
      分子科学討論会2011
    • Place of Presentation
      札幌コンベンションセンター、札幌市(北海道)
    • Year and Date
      2011-09-20
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Third Korea-Japan Seminars on Biomolecular Sciences-Experiments and Simulations
    • Place of Presentation
      Lotte hotel, Jeju, Korea
    • Year and Date
      2011-02-27
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2011

    • Author(s)
      Fumio Hirata
    • Organizer
      The 71^<st> Okazaki International Conference : New perspectives on molecular science of glycoconjugate
    • Place of Presentation
      Okazaki, Aichi
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a Statistical Mechanics of Molecular Solution2011

    • Author(s)
      平田文男
    • Organizer
      液体溶液の微視的構造からダイナミクスまで~最近の研究結果から見えてくるもの
    • Place of Presentation
      松山市(愛媛県)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Third Korea-Japan Seminars on Biomolecular Sciences : - Experiments and Simulations
    • Place of Presentation
      Jeju, Korea
    • Year and Date
      2011-02-27
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Statistical Mechanics Theory of Molecular Recognition and its Application to Pharmaceutical Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Telluride Wrokshop on Free Energy Simulation
    • Place of Presentation
      Telluride, USA
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Theory of Molecular Recognition and its Application to Drug Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      ICCS2011
    • Place of Presentation
      Singapore
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Statistical Mechanics Theory of Molecular Recognition and its Applic ation to Pharmaceutical Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      Telluride Wrokshop on Free Energy Simulation
    • Place of Presentation
      Telluride, USA
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 3D-RISMプログラムの開発と応用2011

    • Author(s)
      吉田紀生、清田泰臣、Daniel J.Sindhikara、平田文男
    • 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2回研究会
    • Place of Presentation
      計算科学研究機構,神戸市(兵庫県)
    • Year and Date
      2011-08-11
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 3D-RISMプログラムの開発と応用2011

    • Author(s)
      吉田紀生、清田泰臣、Daniel J.Sindhikara、平田文男
    • 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2回研究会
    • Place of Presentation
      計算科学研究機構,神戸市(兵庫県)
    • Year and Date
      2011-08-11
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Theory of Molecular Recognition and its Application to Drug Design2011

    • Author(s)
      Fumio Hirata
    • Organizer
      International Conference on Computer Science (ICCS) 2011
    • Place of Presentation
      Singapore
    • Year and Date
      2011-06-02
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 高速3D-RISMの開発について2011

    • Author(s)
      平田文男
    • Organizer
      CMSI・計算分子科学研究拠点、第2回研究会
    • Place of Presentation
      神戸(兵庫県)
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Solvent Effects on Electronic Structures of Coumarin 153.I.RISM-SCF Analysis of the Solvent Distribution and Electronic Properties2011

    • Author(s)
      Norio Yoshida, Katsura Nishiyama, Fumio Hirata
    • Organizer
      EMLG/JMLG Annual Meeting 2011
    • Place of Presentation
      University of Warsaw, Warsaw, Poland
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition in Biological Functions Revealed by Statistical mechanics of Molecular Liquids2010

    • Author(s)
      Fumio Hirata
    • Organizer
      4th International symposium on Molecular Science of Fluctuations toward Biological Functions
    • Place of Presentation
      ピアザ淡海 (滋賀県)
    • Year and Date
      2010-12-01
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Ligand binding and escaping pathway in myoglobin studied by the 3D-RISM theory2010

    • Author(s)
      Fumio Hirata
    • Organizer
      Dynamics and Mechanisms of Photochemical Reactions of Biological Proteins, Pacifichem 2010
    • Place of Presentation
      Honolulu, USA
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Molecular Recognition in Biological Functions Revealed by Statistical mechanics of Molecular Liquids2010

    • Author(s)
      Fumio Hirata
    • Organizer
      4th International symposium on "Molecular Science of Fluctuations toward Biological Functions
    • Place of Presentation
      ピアザ淡海、滋賀
    • Year and Date
      2010-12-01
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] ナノ分野における「グランドチャレンジ」課題への挑戦と計算科学2010

    • Author(s)
      平田文男
    • Organizer
      第一回「学際計算科学による新たな知の発見・統合・創出」シンポジウム
    • Place of Presentation
      筑波大学計算科学研究センター、つくば市
    • Year and Date
      2010-05-06
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2010

    • Author(s)
      Fumio Hirata
    • Organizer
      EMLG/JMLG Annual Meeting "Intermolecular Interactions and Liquid Structure, "
    • Place of Presentation
      Salzburg(招待講演)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2010

    • Author(s)
      Fumio Hirata
    • Organizer
      EMLG-JMLG joint meeting 2010
    • Place of Presentation
      Ivan Franko National University, Lviv, Ukraine
    • Year and Date
      2010-09-20
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Statistical Mechanics of Molecular Liquids Revelas Elementary Processes in Life Phenomena2010

    • Author(s)
      Fumio Hirata
    • Organizer
      EMLG/JMLG Annual Meeting "Complex Liquids "
    • Place of Presentation
      Lviv, Ukraine(招待講演)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Ligand binding and escaping pathway in myoglobin studied by the 3D-RISM theory2010

    • Author(s)
      Fumio Hirata
    • Organizer
      Dynamics and Mechanisms of Photochemical Reactions of Biological Proteins, Pacifichem 2010
    • Place of Presentation
      Honolulu, USA
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Ligand binding and escaping pathway in myoglobin studied by the 3D-RISM theory2010

    • Author(s)
      Fumio Hirata
    • Organizer
      Dynamics and Mechanisms of Photochemical Reactions of Biological Proteins, Pacifichem 2010
    • Place of Presentation
      Honolulu, Hawaii, USA
    • Year and Date
      2010-12-15
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] RISM-SCF理論の開発と発展~RISM-SCF理論誕生秘話~2010

    • Author(s)
      平田文男
    • Organizer
      加藤重樹教授記念シンポジウム「化学反応のポテンシャル曲面とダイナミックス」
    • Place of Presentation
      京都大学 理学研究科セミナーハウス、京都布
    • Year and Date
      2010-06-19
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] ナノ分野における「グランドチャレンジ」課題への挑戦と計算科学2010

    • Author(s)
      平田文男
    • Organizer
      第一回「学際計算科学による新たな知の発見・統合・創出」シンポジウム
    • Place of Presentation
      筑波大学計算科学研究センター、つくば市
    • Year and Date
      2010-05-06
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2010

    • Author(s)
      Fumio Hirata
    • Organizer
      EMLG-JMLG joint meeting 2010
    • Place of Presentation
      Lviv, Ukraine
    • Year and Date
      2010-09-08
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2010

    • Author(s)
      Fumio Hirata
    • Organizer
      The Overseas Sokendai Lecture in Bankok : The lnaugural CU-IMS Joint Symposium
    • Place of Presentation
      Bankok, Thai land
    • Year and Date
      2010-10-20
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] On the origin of energy produced by the hydrolysis reaction of ATP : 3D-RISM-SCF study2010

    • Author(s)
      Fumio Hirata
    • Organizer
      ICPOC-20 : 20th International Conference on Physical Organic Chemistry
    • Place of Presentation
      Busan, Republic of Korea
    • Year and Date
      2010-08-22
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] On the origin of energy produced by the hydrolysis reaction of ATP:3D-RISM-SCF study2010

    • Author(s)
      Fumio Hirata
    • Organizer
      ICPOC-20: 20th International Conference on Physical Organic Chemistry
    • Place of Presentation
      Busan, Republic of Korea
    • Year and Date
      2010-08-25
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2010

    • Author(s)
      Fumio Hirata
    • Organizer
      The Overseas Sokendai Lecture in Bankok : The Inaugural CU-IMS Joint Symposium
    • Place of Presentation
      Bankok, Thailand
    • Year and Date
      2010-10-20
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Ligand binding and escaping pathway in myoglobin studied by the 3D-RISM theory2010

    • Author(s)
      Fumio Hirata
    • Organizer
      Dynamics and Mechanisms of Photochemical Reactions of Biological Proteins, Pacifichem 2010
    • Place of Presentation
      Honolulu, Hawaii, USA
    • Year and Date
      2010-12-15
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition in Biological Functions Revealed by Statistical mechanics of Molecular Liquids2010

    • Author(s)
      Fumio Hirata
    • Organizer
      4th International symposium on "Molecular Science of Fluctuations toward Biological Functions
    • Place of Presentation
      ピアザ淡海、滋賀
    • Year and Date
      2010-12-01
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2010

    • Author(s)
      Fumio Hirata
    • Organizer
      EMLG-JMLG joint meeting 2010
    • Place of Presentation
      Ivan Franko National University, Lviv, Ukraine
    • Year and Date
      2010-09-20
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] On the origin of energy produced by the hydrolysis reaction of ATP : 3DRISM-SCF study2010

    • Author(s)
      Fumio Hirata
    • Organizer
      ICPOC-20 : 20th International Conference on Physical Organic Chemistry
    • Place of Presentation
      Busan, Republic of Korea
    • Year and Date
      2010-08-22
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] RISM-SCF理論の開発と発展~RISM-SCF理論誕生秘話~2010

    • Author(s)
      平田文男
    • Organizer
      加藤重樹教授記念シンポジウム「化学反応のポテンシャル曲面とダイナミックス」
    • Place of Presentation
      京都大学理学研究科セミナーハウス、京都市
    • Year and Date
      2010-06-19
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Molecular Recognition in Biological Functions Revealed by Statistical mechanics of Molecular Liquids2010

    • Author(s)
      Fumio Hirata
    • Organizer
      4th International symposium on "Molecular Science of Fluctuations toward Biological Functions
    • Place of Presentation
      ピアザ淡海(滋賀県)
    • Year and Date
      2010-12-01
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical Mechanics of Molecular Liquids Reveals Elementary Processes in Life Phenomena2010

    • Author(s)
      Fumio Hirata
    • Organizer
      EMLG-JMLG joint meeting 2010
    • Place of Presentation
      Lviv, Ukraine
    • Year and Date
      2010-09-07
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] On the origin of energy produced by the hydrolysis reaction of ATP : 3D-RISM-SCF study2010

    • Author(s)
      Fumio Hirata
    • Organizer
      ICPOC-20: 20th International Conference on Physical Organic Chemistry
    • Place of Presentation
      Busan, Republic of Korea
    • Year and Date
      2010-08-23
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      Fumio, Hirata
    • Organizer
      EMLG/JMLG Annual Meeting "Intermolecular Interactions and Liquid Structure,"
    • Place of Presentation
      Salzburg, Austlia
    • Year and Date
      2009-09-11
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] An attempt toward the generalized Langevin dynamics simulation2009

    • Author(s)
      平田文男
    • Organizer
      KIAS meeting on "Recent Progress in Computer Simulations in Molecular Sciences
    • Place of Presentation
      Seoul(Korea)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical mechanics reached at the point where it can explain elementary processes in life phenomena2009

    • Author(s)
      平田文男
    • Organizer
      Statistical Physics : Modem Trends and Applications dedicated to the 100-th anniversary of□Prof.M.M.Bogolyubov
    • Place of Presentation
      Lviv(Ukraine)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical mechanics reached at the point where it can explain elementary processes in life phenomena2009

    • Author(s)
      Fumio Hirata
    • Organizer
      Statistical Physics: Modern Trends and Applications dedicated to the 100-th anniversary of Prof. M.M.Bogolyubov
    • Place of Presentation
      Lviv, Ukraine
    • Year and Date
      2009-06-24
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      平田文男
    • Organizer
      6^<th> International Discussion Meeting on Relaxations in Complex Systems
    • Place of Presentation
      Roma(Italy)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      Fumio Hirata
    • Organizer
      The 6^<th> Open Workshop on "Water and Biomolecules," and The 2^<nd> Open Workshop on "Fluctuation and Function,"
    • Place of Presentation
      岡崎コンファレンスセンター(愛知県)
    • Year and Date
      2009-03-16
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 生体分子および溶媒の構造揺らぎと共役した機能発現過程の理論的解明2009

    • Author(s)
      平田文男
    • Organizer
      新学術領域「揺らぎと生体機能」第一回公開シンポジウム
    • Place of Presentation
      京都府京都市京都テルサ
    • Year and Date
      2009-01-06
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 生体分子および溶媒の構造揺らぎと共役した機能発現過程の理論的解明2009

    • Author(s)
      平田文男
    • Organizer
      新学術領域「揺らぎと生体機能」第一回公開シンポジウム
    • Place of Presentation
      京都テルサ(京都府)
    • Year and Date
      2009-01-06
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Model Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids2009

    • Author(s)
      平田文男
    • Organizer
      International Workshop on "Continuum Modeling of Biomolecules
    • Place of Presentation
      Beijin(China)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      Fumio Hirata
    • Organizer
      6^<th> International Discussion Meeting on Relaxations in Complex Systems
    • Place of Presentation
      Roma, Italy
    • Year and Date
      2009-09-03
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Biomolecules in water and water in biomolecules2009

    • Author(s)
      平田文男
    • Organizer
      the Fourth Annual Conference on the Physics, Chemistry, and Biology of Water 2009
    • Place of Presentation
      Vermont(U.S.A.)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Model Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids2009

    • Author(s)
      Fumio Hirata
    • Organizer
      International Workshop on "Continuum Modeling of Biomolecules
    • Place of Presentation
      Beijin, China
    • Year and Date
      2009-09-14
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      Fumio Hirata
    • Organizer
      Asian Core symposium "First Korea-Japan Seminars on Biomolecular Sciences - Experiments and Simulations"
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2009-02-28
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      平田文男
    • Organizer
      EMLG/JMLG Annual Meeting "Intermolecular Interactions and Liquid Structure
    • Place of Presentation
      Salzburg(Austria)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] A Statistical Mechanics Study of Molecular Recognition and Drug Design2009

    • Author(s)
      Fumio Hirata
    • Organizer
      2^<nd> Japan-Korea Seminar on Biomolecular Science - Experiments and Simulations
    • Place of Presentation
      名古屋大学(愛知県)
    • Year and Date
      2009-12-23
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      F. Hirata
    • Organizer
      Asian Core Symposium "First Korea-Japan Semin ars on Biomolecular Sciences Experiments and Si mulations"
    • Place of Presentation
      KIAS in Seoul, Korea
    • Year and Date
      2009-03-01
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Possibility of Parallelization of the 3D-RISM Program on the Next-generation Supercomputer2009

    • Author(s)
      平田文男
    • Organizer
      3^<rd> French-Japanese Workshop on "Petascale Applications, Algorithms and Programing(PAAP)
    • Place of Presentation
      京都市 芝欄館
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical mechanics reached at the point where it can explain elementary processes in life phenomena2009

    • Author(s)
      Fumio Hirata
    • Organizer
      Statistical Physics : Modern Trends and Applications dedicated to the 100-th anniversary of Prof.M.M.Bogolyubov
    • Place of Presentation
      Lviv, Ukraine(招待講演)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 蛋白質一溶液界面と分子認識 : 統計力学的研究2009

    • Author(s)
      平田文男
    • Organizer
      特定領域研究「高次系分子科学」・SFG研究会合同シンポジウム「表面・界面を観る非線形分光の新しい展開」
    • Place of Presentation
      埼玉県和光市理化学研究所
    • Year and Date
      2009-03-23
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Biomolecules in water and water in biomolecules on the Physics, Chemistry, and Biology of Water 20092009

    • Author(s)
      Hirata
    • Organizer
      the Fourth Annual Conference
    • Place of Presentation
      Snow Mountain, USA
    • Year and Date
      2009-10-22
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition, Fluctuation, and Function of Protein Studied by a Statistical Mechanics of Liquids2009

    • Author(s)
      F. Hirata
    • Organizer
      The 6th Open Workshop on "Water and Biomolec ules" and the 2nd Open Symposium on "Fluctuati on and Biological Functions"
    • Place of Presentation
      愛知県岡崎市岡崎コンファレンスセンター
    • Year and Date
      2009-03-16
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] A statistical mechanics theory of molecular recognition, and it's alication to aquqporin2008

    • Author(s)
      F. Hirata
    • Organizer
      The 5th Open Work Shop on "Chemistry of Biological Processes Created by Water and Biomolecules, "
    • Place of Presentation
      Nara
    • Data Source
      KAKENHI-PROJECT-15076101
  • [Presentation] Molecular Recognition in Life Phenomena Probed with the Statistical Mechanics of Liquids2008

    • Author(s)
      F. Hirata
    • Organizer
      IMA Annual Program Tear Workshop "Solvation,"
    • Place of Presentation
      Minneapolis, USA
    • Year and Date
      2008-12-10
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] 「生命階層と物質階層の境界 : 分子認識」、自然科学研究機構「自然科学における階層と全体」2008

    • Author(s)
      平田文男
    • Organizer
      自然科学研究機構「自然科学における階層と全体」シンポジウム
    • Place of Presentation
      愛知県蒲郡市
    • Year and Date
      2008-12-17
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical-mechanics theory of molecular recognition: water and other molecules recognized by protein2008

    • Author(s)
      F. Hirata
    • Organizer
      Water in Biological System, A French-Japanese Workshop
    • Place of Presentation
      京都大学(京都府)
    • Year and Date
      2008-11-26
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Statistical theory of molecular recognition, and it's application to aquaporin2008

    • Author(s)
      F. Hirata
    • Organizer
      The 5^<th> Open Workshop on "Chemistry of Biological Processes Created by Water and Biomolecules
    • Place of Presentation
      能楽堂(奈良県)
    • Year and Date
      2008-01-24
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition Realized by the Statistical Mechanics Theory of Liquids2008

    • Author(s)
      F. Hirata
    • Organizer
      Theory and Applications of Computational Chemistry (TACC)
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2008-09-25
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition in Life Phenomena Probed with the Statistical Mechanics of Liquids2008

    • Author(s)
      F. Hirata
    • Organizer
      The 8^<th> KIAS-Yonsei Conference on Protein Structure and Function
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2008-10-10
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Molecular Recognition in Life Phenomena Probed with the Statistical Mechanics of Liauids2008

    • Author(s)
      F. Hirata
    • Organizer
      IMA Annual Program Year Workshop "Solvation"
    • Place of Presentation
      University of Minesota, Minneapolis, USA
    • Year and Date
      2008-12-11
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Theory of molecular recognition and it's application to the enzymatic reaction2008

    • Author(s)
      F. Hirata
    • Organizer
      The grand challenge to Next Generation Integrated Nano-science
    • Place of Presentation
      未来科学館(東京都)
    • Year and Date
      2008-06-04
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] A Statistical Mechanics Study of Molecular Recognition and Anesthesia

    • Author(s)
      Fumio Hirata
    • Organizer
      第47回生物物理学会シンポジウム"麻酔作用の分子機構:生物物理から明らかにされる生体分子と麻酔 薬の相互作用
    • Place of Presentation
      文理大学(徳島県)
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Theory of Molecular Recognition and Its Application to Pharmaceutical Design

    • Author(s)
      Fumio Hirata
    • Organizer
      12th Eurasia Conference on Chemical Sciences EuAsC2S- 12 (招待講演)
    • Place of Presentation
      Corfu, Greece
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 分子認識の統計力学(3D- RISM/ RISM)と構造生物学

    • Author(s)
      平田文男
    • Organizer
      第12回蛋白質科学シンポジウム「YouTube時代の構造生物学」
    • Place of Presentation
      名古屋国際会議場、愛知県
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Ligand Binding by Protein Probed with the 3D- RISM Microscope

    • Author(s)
      平田文男
    • Organizer
      次世代の物質科学・ナノサイエンスを探る
    • Place of Presentation
      北海道大学百年記念会館、北海道
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] The molecular mechanism the pressure denaturation of protein clarified by the 3D-RISM theory

    • Author(s)
      Fumio Hirata
    • Organizer
      7th International Conference on High Pressure Bioscience and Biotechnology
    • Place of Presentation
      ピアザ淡海、滋賀県
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 3D- RISM/ RISM Theory: Present and Future

    • Author(s)
      Fumio Hirata
    • Organizer
      2013 Workshop on 3D- RISM/ RISM: Present and Future
    • Place of Presentation
      立命館大学BKCエポック立命21、滋賀県
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 水は生命の神様である

    • Author(s)
      平田文男
    • Organizer
      シンポジウム「生命進化と水」
    • Place of Presentation
      立命館大学BKCエポック立命21、滋賀県
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Structural Fluctuation of Proetin in Water around Its Native State: A New Statistical Mechanics Formulation

    • Author(s)
      Fumio Hirata
    • Organizer
      Fifth Korea- Japan Seminars on Biomolecular Sciences - Experiments and Simulations
    • Place of Presentation
      Gohan, Korea
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] "非生物的揺らぎ”から“生物的揺らぎ”への“水”の役割

    • Author(s)
      平田文男
    • Organizer
      第51回生物物理学会シンポジウム「生物ダイナミズムの源泉を問う―“非生物的揺らぎ”が生み出す“生物的揺らぎ”」
    • Place of Presentation
      京都国際会議場、京都府
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] An attempt toward the generalized Langevin dynamics simulation

    • Author(s)
      Fumio Hirata
    • Organizer
      KIAS meeting on "Recent Progress in Computer Simulations in Molecular Sciences,"
    • Place of Presentation
      Seoul, Korea
    • Data Source
      KAKENHI-PLANNED-20107008
  • [Presentation] Role of water to convert 'non-biological' fluctuation to the 'biological' one

    • Author(s)
      Fumio Hirata
    • Organizer
      6th Japan-Korea Seminars on Biomolecular Sciences: Experiments and Simulation
    • Place of Presentation
      岡崎コンファレンスセンター、愛知県
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Protein, Fluctuation, Molecular Recognition, and Water

    • Author(s)
      Fumio Hirata
    • Organizer
      International Symposiumon Protein Folding and its Biological Significance
    • Place of Presentation
      岡崎コンファレンスセンター、愛知県
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Exploring life phenomena with a Theory Featuring Chemical Specificity and Physical Universality

    • Author(s)
      Fumio Hirata
    • Organizer
      International Conference on Pure and Applied Chemistry: The key for our Future
    • Place of Presentation
      Flic- en- Flac, Mauritius
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Ligand Binding by Protein Probed with the 3D- RISM Microscope

    • Author(s)
      Fumio Hirata
    • Organizer
      The ACS Symposiumon "ContinuumSolvation Modeling in Biological Systems(招待講演)
    • Place of Presentation
      Philadelphia, USA
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] LigandBindingbyProteinProbedwith 3D-RISMMicroscop

    • Author(s)
      Fumio Hirata
    • Organizer
      Foundation of Molecular Modeling and Simulation(FOMMS)(
    • Place of Presentation
      Portland, USA
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] 液体中の化学、化学における液体論

    • Author(s)
      平田文男
    • Organizer
      第36回溶液化学シンポジウム
    • Place of Presentation
      北海道大学学術交流会館、北海道
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
  • [Presentation] Structure, Fluctuation,and Function of Biomolecules in Solution Explored by the 3D-RISM/RISM Theory

    • Author(s)
      Fumio Hirata
    • Organizer
      The 18th International Annual Symposium on Computational Science and Engineering (ANSCSE18)
    • Place of Presentation
      Pattaya, Thailand
    • Invited
    • Data Source
      KAKENHI-PROJECT-22245002
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