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Free-Energy Analysis of ATP Hydrolysis

Planned Research

Project AreaWater plays a key role in ATP hydrolysis and ATP-driven functions of proteins
Project/Area Number 20118002
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Complex systems
Research InstitutionKyoto University

Principal Investigator

MATUBAYASI Nobuyuki  京都大学, 化学研究所, 准教授 (20281107)

Co-Investigator(Kenkyū-buntansha) NAKAHARA Masaru  京都大学, 化学研究所, 教授 (20025480)
WAKAI Chihiro  京都大学, 化学研究所, 助教 (40293948)
Project Period (FY) 2008 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥46,410,000 (Direct Cost: ¥35,700,000、Indirect Cost: ¥10,710,000)
Fiscal Year 2012: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
Fiscal Year 2011: ¥13,780,000 (Direct Cost: ¥10,600,000、Indirect Cost: ¥3,180,000)
Fiscal Year 2010: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
Fiscal Year 2009: ¥13,780,000 (Direct Cost: ¥10,600,000、Indirect Cost: ¥3,180,000)
Fiscal Year 2008: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
KeywordsATP / 水和 / 溶媒和 / 加水分解 / 自由エネルギー / 溶液理論 / タンパク質構造 / F1タンパク質 / 分子シミュレーション / 構造エネルギー / エネルギー表示 / 水和・溶媒和 / 分布関数 / 基質結合
Research Abstract

ATP is a key compound to bridge material science and life science. In the present project, all-atom analysis of free energy is conducted for the hydrolysis of ATP. It is found that the hydration free energies of ATP and its related compounds are comparable in magnitude to the energies of covalent bonds. The interaction component responsible for the solvation effect on ATP and protein systems is further identified, and an analysis scheme for cosolvent effect is established.

Report

(7 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Annual Research Report
  • 2010 Annual Research Report   Self-evaluation Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (224 results)

All 2013 2012 2011 2010 2009 2008 Other

All Journal Article (71 results) (of which Peer Reviewed: 65 results) Presentation (142 results) (of which Invited: 12 results) Book (6 results) Remarks (1 results) Patent(Industrial Property Rights) (4 results) (of which Overseas: 1 results)

  • [Journal Article] Anion-Dependence of Fast Relaxation Component in Na-, K-Halide 2 Solutions at Low Concentrations Measured by High-Resolution 3 Microwave Dielectric Spectroscopy2013

    • Author(s)
      George Mogami, Takashi Miyazaki, Tetsuichi Wazawa, Nobuyuki Matubayasi, and Makoto Suzuki
    • Journal Title

      J. Phys. Chem A

      Volume: 117 Issue: 23 Pages: 4851-4862

    • DOI

      10.1021/jp4012119

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Effect of heavy hydrogen isotopes on the vibrational line shape for supercritical water through rotational couplings2013

    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Phys

      Volume: 138 Issue: 13 Pages: 134508-134508

    • DOI

      10.1063/1.4798933

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Dynamics Simulations of Yeast F1-ATPase Before and After 16-degree Rotation of the Gamma Subunit2013

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

      The journal of Physical Chemistry B

      Volume: 117 Issue: 12 Pages: 3298-3307

    • DOI

      10.1021/jp312499u

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Solvent Effect on Pathways and Mechanisms for D-Fructose Conversion to 5-Hydroxymethyl-2-furaldehyde: In Situ^<13>C NMR Study2013

    • Author(s)
      H. Kimura, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Phys. Chem. A

      Volume: 117 Issue: 10 Pages: 2102-2113

    • DOI

      10.1021/jp312002h

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Interaction-component analysis of the urea effect on amino acid analogs2013

    • Author(s)
      Y. Karino and N. Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: 15 Issue: 12 Pages: 4377-4391

    • DOI

      10.1039/c3cp43346c

    • NAID

      120005466636

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method2013

    • Author(s)
      T. Ishikawa, R. R. Burri, Y. O. Kamatari, S. Sakuraba, N. Matubayasi, A. Kitao, and K. Kuwata
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: 15 Issue: 10 Pages: 3646-3654

    • DOI

      10.1039/c3cp42761g

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Free-energy analysis of lysozyme-triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation2013

    • Author(s)
      K. Takemura, R. R. Burri, T. Ishikawa, T. Ishikura, S. Sakuraba, N. Matubayasi, K. Kuwata, and A. Kitao
    • Journal Title

      Chem. Phys. Lett

      Volume: 559 Pages: 94-98

    • DOI

      10.1016/j.cplett.2012.12.063

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] High-Energy X-ray Diffraction Study on the Intramolecular Structure of 2-Aminoethanol in the Liquid State2013

    • Author(s)
      Y. Kameda, H. Deguchi, Y. Kubota, H. Furukawa, Y. Yagi, Y. Imai, M. Tatsumi, N. Yamazaki, N. Watari, T. Hirata, N. Matubayasi
    • Journal Title

      Bull. Chem. Soc. Japan

      Volume: 86 Issue: 1 Pages: 99-103

    • DOI

      10.1246/bcsj.20120222

    • NAID

      130004153140

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Free-energy analysis of water affinity in polymer studied by atomistic molecular simulation combined with the theory of solutions in the energy representation2012

    • Author(s)
      T. Kawakami, I. Shigemoto, and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 137 Issue: 23

    • DOI

      10.1063/1.4770334

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion2012

    • Author(s)
      Y. Kubota, A. Yoshimori, N. Matubayasi, M. Suzuki, and R. Akiyama
    • Journal Title

      J. Chem. Phys

      Volume: 137 Issue: 22

    • DOI

      10.1063/1.4769972

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation2012

    • Author(s)
      K. Takemura, H. Guo, S. Sakuraba, N. Matubayasi, and A. Kitao
    • Journal Title

      J. Chem. Phys

      Volume: 137 Issue: 21

    • DOI

      10.1063/1.4768901

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Density effect on infrared spectrum for supercritical water in the low- and medium-density region studied by molecular dynamics simulation2012

    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Phys

      Volume: 137 Issue: 19

    • DOI

      10.1063/1.4767352

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Nuclear magnetic resonance study on rotational dynamics of water and benzene in a series of ionic liquids: Anion and cation effects2012

    • Author(s)
      H. Kimura, Y. Yasaka, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 137 Issue: 19

    • DOI

      10.1063/1.4766258

    • NAID

      120005054548

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Non-catalytic Hydrothermal Elimination of Terminal D-Glucose Unit from Malto- and Cello-oligosaccharides through Transformation to D-Fructose2012

    • Author(s)
      H. Kimura, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Phys. Chem. A

      Volume: 116 Issue: 41 Pages: 10039-10049

    • DOI

      10.1021/jp3034165

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Structural Characteristics of Yeast F_1-ATPase Before and After 16-degree Rotation of the γ Subunit : Theoretical Analysis Focused on the Water-Enrtopy Effect2012

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

      Journal of Chemical Physics

      Volume: 137 Issue: 3 Pages: 8-8

    • DOI

      10.1063/1.4734298

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Interaction of naphthalene derivatives with lipid in membrane studied by 1H-nuclear Overhauser effect and molecular dynamics simulation2012

    • Author(s)
      M. Shintani, Y. Matsuo, S. Sakuraba, and N. Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: 14 Issue: 40 Pages: 14049-14060

    • DOI

      10.1039/c2cp41984j

    • NAID

      120005312058

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] A possible molecular mechanism for the pressure reversal of general anaesthetics: aggregation of halothane in POPC bilayers at high pressure2012

    • Author(s)
      K. M. Tu, N. Matubayasi, K. K. Liang, I. T. Todorov, S. L. Chan, and P.-L. Chau
    • Journal Title

      Chem. Phys. Lett

      Volume: 542 Pages: 148-154

    • DOI

      10.1016/j.cplett.2012.06.044

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Simple and exact approach to the electronic polarization effect on the solvation free energy: Formulation for QM/MM system and its applications to aqueous solutions2012

    • Author(s)
      H. Takahashi, A. Omi, A. Morita, and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 136 Issue: 21 Pages: 214503-214503

    • DOI

      10.1063/1.4722347

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Free-Energy and Structural Analysis of Ion Solvation and Contact Ion-Pair Formation of Li^+ with BF_4^- and PF_6^- in Water and Carbonate Solvents2012

    • Author(s)
      M. Takeuchi, N. Matubayasi, Y. Kameda, B. Minofar, S. Ishiguro, and Y. Umebayashi
    • Journal Title

      J. Phys. Chem. B

      Volume: 116 Issue: 22 Pages: 6476-6487

    • DOI

      10.1021/jp3011487

    • Related Report
      2012 Annual Research Report 2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] The effect of pressure on halothane binding to hydrated DMPC bilayers2012

    • Author(s)
      P.-L. Chau, K. M. Tu, K. K. Liang, I. T. Todorov, S. J. Roser, R. Barker, and N. Matubayasi
    • Journal Title

      Mol. Phys

      Volume: 110 Issue: 13 Pages: 1461-1467

    • DOI

      10.1080/00268976.2012.659682

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Rotational dynamics of benzene and water in an ionic liquid explored via molecular dynamics simulations and NMR T1 measurements2012

    • Author(s)
      Y.Yasaka, M.L.Klein, M.Nakahara, N.Matubayasi
    • Journal Title

      Journal of Chemical Physics

      Volume: 136 Issue: 7

    • DOI

      10.1063/1.3685100

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Free-energy analysis of the electron-density fluctuation in the quantum-mechanical/molecular-mechanical simulation combined with the theory of energy representation2012

    • Author(s)
      N.Matubayasi, H.Takahashi
    • Journal Title

      Journal of Chemical Physics

      Volume: 136 Issue: 4

    • DOI

      10.1063/1.3677184

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pathways and Kinetics of Anisole Pyrolysis Studied by NMR and Selective ^<13>C Labeling. Heterolytic Carbon Monoxide Generation2012

    • Author(s)
      Y. Tsujino, Y. Yasaka, N. Matubayasi, and M. Nakahara
    • Journal Title

      Bull. Chem. Soc. Japan

      Volume: 85 Issue: 1 Pages: 124-132

    • DOI

      10.1246/bcsj.20110334

    • NAID

      130004152976

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] In Situ Kinetic Study on Hydrothermal Transformation of D-Glucose into 5-Hydroxymethylfurfural through D-Fructose with ^<13>C NMR2011

    • Author(s)
      H.Kimura, M.Nakahara, N.Matubayasi
    • Journal Title

      Journal of Physical Chemistry A

      Volume: 115 Issue: 48 Pages: 14013-14021

    • DOI

      10.1021/jp206355e

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Frequency-Domain Investigation of the Ionic Mobility of Triflate Salts in Tetrahy drofuran2011

    • Author(s)
      T.Yamaguchi, Y.Yamada, T.Matsuoka, S.Koda, Y.Yasaka, N.Matubayasi
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 115 Issue: 43 Pages: 12558-12565

    • DOI

      10.1021/jp208317f

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydration structure around CO_2 captured in aqueous amine solutions observed by high energy X-ray scattering2011

    • Author(s)
      H.Deguchi, Y.Kubota, H.Furukawa, Y.Yagi, Y.Imai, M.Tatsumi, N.Yamazaki, N.Watari, T.Hirata, N.Matubayasi, Y.Kameda
    • Journal Title

      Int.J.Greenhouse Gas Control

      Volume: 5 Issue: 6 Pages: 1533-1539

    • DOI

      10.1016/j.ijggc.2011.08.010

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Distribution-function approach to free energy computation2011

    • Author(s)
      S.Sakuraba, N.Matubayasi
    • Journal Title

      Journal of Chemical Physics

      Volume: 134 Issue: 11

    • DOI

      10.1063/1.3637036

    • NAID

      120003437103

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] NMR-NOE and MD Simulation Study on Phospholipid Membranes : Dependence on Membrane Diameter and Multiple Time Scale Dynamics2011

    • Author(s)
      M.Shintani, K.Yoshida, S.Sakuraba, M.Nakahara, N.Matubayasi
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 115 Issue: 29 Pages: 9106-9115

    • DOI

      10.1021/jp204051f

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011

    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 115 Issue: 16 Pages: 4745-4751

    • DOI

      10.1021/jp2015676

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Exploring the reorientation of benzene in an ionic liquid via molecular dynamics : Effect of temperature and solvent effective charge on the slow dynamics2011

    • Author(s)
      Y.Yasaka, M.L.Klein, M.Nakahara, N.Matubayasi
    • Journal Title

      Journal of Chemical Physics

      Volume: 134 Issue: 19

    • DOI

      10.1063/1.3592530

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent: Equilibrium fluctuation of cytochrome c2011

    • Author(s)
      Y. Karino and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 134 Issue: 4

    • DOI

      10.1063/1.3535560

    • Related Report
      2012 Final Research Report 2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011

    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      J.Phys.Chem.B 115

      Pages: 4745-4751

    • Related Report
      2010 Self-evaluation Report
  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent : Equilibrium fluctuation of cytochrome c2011

    • Author(s)
      Y.Karino, N.Matubayasi
    • Journal Title

      J.Chem.Phys.(Communication) 134

    • Related Report
      2010 Self-evaluation Report
  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent : Equilibrium fluctuation of cytochrome c2011

    • Author(s)
      Y.Karino, N.Matubayasi
    • Journal Title

      J.Chem.Phys.

      Volume: 134(Communication)

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011

    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      J.Phys.Chem.B

      Volume: 115 Pages: 4745-4751

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Exploring the reorientation of benzene in an ionic liquid via molecular dynamics : Effect of temperature and solvent effective charge on the slow dynamics2011

    • Author(s)
      Y.Yasaka, M.L.Klein, M.Nakahara, N.Matubayasi
    • Journal Title

      J.Chem.Phys.

      Volume: 134(Communication)

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydration property of globular proteins: An analysis of solvation free energy by energy representation method2010

    • Author(s)
      H. Saito, N. Matubayasi, K. Nishikawa, and H. Nagao
    • Journal Title

      Chem. Phys. Lett

      Volume: 497 Issue: 4-6 Pages: 218-222

    • DOI

      10.1016/j.cplett.2010.08.008

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010

    • Author(s)
      Y. Karino, M. V. Fedorov, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett

      Volume: 496 Issue: 4-6 Pages: 351-355

    • DOI

      10.1016/j.cplett.2010.07.054

    • NAID

      120002561295

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of emperatures and Densities2010

    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Eng. Data

      Volume: 55 Issue: 8 Pages: 2815-2823

    • DOI

      10.1021/je100206s

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N Hydrogen Bond2010

    • Author(s)
      K. Hayashi, N. Matubayasi, C. Jiang, T. Yoshimura, S. Majumdar, T. Sasamori, N. Tokitoh, and T. Kawabata
    • Journal Title

      J. Org. Chem

      Volume: 75 Issue: 15 Pages: 5031-5036

    • DOI

      10.1021/jo100586b

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010

    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. A

      Volume: 114 Issue: 10 Pages: 3510-3515

    • DOI

      10.1021/jp908174s

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Newly Designed Neutron Diffraction Cell for Fluids at High Temperatures and High Pressures2010

    • Author(s)
      H. Iwase, N. Matubayasi, Y. Kameda, K. Itoh, T. Otomo, and M. Nakahara
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 49 Issue: 1 Pages: 016602-016602

    • DOI

      10.1143/jjap.49.016602

    • NAID

      40016941288

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Hydration property of globular proteins : An analysis of solvation free energy by energy representation method2010

    • Author(s)
      H.Saito, N.Matubayasi, K.Nishikawa, H.Nagao
    • Journal Title

      Chem.Phys.Lett. 497

      Pages: 218-222

    • Related Report
      2010 Self-evaluation Report
  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010

    • Author(s)
      Y.Karino, M.V.Fedorov, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett. 496

      Pages: 351-355

    • NAID

      120002561295

    • Related Report
      2010 Self-evaluation Report
  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010

    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A 114

      Pages: 3510-3515

    • Related Report
      2010 Self-evaluation Report
  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010

    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 3510-3515

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N Hydrogen Bond2010

    • Author(s)
      K.Hayashi, N.Matubayasi, C.Jiang, T.Yoshimura, S.Majumdar, T.Sasamori, N.Tokitoh, T.Kawabata
    • Journal Title

      J.Org.Chem.

      Volume: 75 Pages: 5031-5036

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of Temperatures and Densities2010

    • Author(s)
      K.Yoshida, N.Matubayasi, Y.Uosaki, M.Nakahara
    • Journal Title

      J.Chem.Eng.Data

      Volume: 55 Pages: 2815-2823

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010

    • Author(s)
      Y.Karino, M.V.Fedorov, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett.

      Volume: 496 Pages: 351-355

    • NAID

      120002561295

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydration property of globular proteins : An analysis of solvation free energy by energy representation method2010

    • Author(s)
      H.Saito, N.Matubayasi, K.Nishikawa, H.Nagao
    • Journal Title

      Chem.Phys.Lett.

      Volume: 497 Pages: 218-222

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 高温高圧水における有機反応研究の進歩2010

    • Author(s)
      中原勝、辻野康夫、八坂能郎、吉田健、魚崎泰弘、若井千尋、松林伸幸
    • Journal Title

      高圧力の科学と技術

      Volume: 20 Pages: 40-49

    • NAID

      10026122135

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Development of a Quantum Chemical Method Combined with a Theory of Solutions--Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations2010

    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Journal Title

      Advances in Quantum Chemistry

      Volume: 59 Pages: 283-351

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] イオン液体の不純物戦記-水という「pH指示薬」を用いた不純物の検出法2010

    • Author(s)
      八坂能郎、中原勝、松林伸幸
    • Journal Title

      化学

      Volume: 65(7) Pages: 46-51

    • Related Report
      2010 Annual Research Report
  • [Journal Article] Newly Designed Neutron Diffraction Cell for Fluids at High Temperatures and High Pressures2010

    • Author(s)
      H.Iwase, N.Matubayasi, Y.Kameda, K.Itoh, T.Otomo, M.Nakahara
    • Journal Title

      Japanese Journal of Applied Physics 49

    • NAID

      40016941288

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009

    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Mol. Liq

      Volume: 147 Issue: 1-2 Pages: 96-101

    • DOI

      10.1016/j.molliq.2008.10.006

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2009

    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, and M. Nakahara
    • Journal Title

      Anal. Chem

      Volume: 81 Issue: 1 Pages: 400-407

    • DOI

      10.1021/ac801767u

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2009

    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009

    • Author(s)
      K.Yoshida, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Mol.Liq. 147

      Pages: 96-101

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Free-Energy Analysis of Solvation with the Method of Energy Representation2009

    • Author(s)
      N.Matubayasi
    • Journal Title

      Frontiers in Bioscience 14

      Pages: 3536-3549

    • NAID

      10025613007

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] エネルギー表示法による溶媒和の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Journal Title

      熱測定 36

      Pages: 165-172

    • NAID

      10025613007

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009

    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Mol. Lie

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect2008

    • Author(s)
      C. Giordani, C. Wakai, K. Yoshida, E. Okamura, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 2622-2628

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Investigation of the dominant hydration structures among the ionic species in aqueous solution : Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation2008

    • Author(s)
      H. Takahashi, H. Ohno, T. Yamauchi, R. Kishi, S. Furukawa, M. Nakano, and N. Matubayasi
    • Journal Title

      J. Chem. Phys 128

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Partial Pair Correlation Functions of Low-Density Supercritical Water Determined by Neutron Diffraction with the H/D Isotopic Substitution Method2008

    • Author(s)
      T. Otomo, H. Iwase, Y. Kameda, N. Matubayasi, K. Itoh, S. Ikeda, and M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 4687-4693

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computation of the reduction. free energy of coenzyme in aqueous solution by the QM/MM-ER method2008

    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M, Nakano, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett 456

      Pages: 176-180

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation2008

    • Author(s)
      N. Matubayasi, W. Shinoda, and M. Nakahara
    • Journal Title

      J. Chem. Phys 128

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydrothermal C-C Bond Formation and Disproportionation of Acetaldehyde with Formic Acid2008

    • Author(s)
      S. Morooka, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 6950-6959

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Free-Energy Change of Inserting Halothane into Different Depths of a Hydrated DMPC Bilayer2008

    • Author(s)
      P. L. Chau, K. M. Tu, K. K. Liang, S. L Chan, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett 462

      Pages: 112-115

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computation of thefree energy change associated with one-electron reduction of coenzyme immersed in water : Anovel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation2008

    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M. Nakano, and N. Matubayasi
    • Journal Title

      J. Chem. Phys 128

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Self-diffusion coefficients for water and organic solvents at high-temperatures along the coexistence curve2008

    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Chem. Phys 128

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Water-as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2008

    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, and M. Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] Interaction-component analysis of hydration and cosolvent effects on protein structure2013

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      International Mini-Workshop on the Coupled Effects of Water, ATP, and Osmolyte on Bio-Related Systems
    • Place of Presentation
      仙台市青葉区 ホテルモントレー
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Free-energy analysis of water and cosolvent effects on functional molecules in solution2012

    • Author(s)
      N. Matubayasi
    • Organizer
      RCAS Thursday Seminar
    • Place of Presentation
      Taipei, Taiwan
    • Year and Date
      2012-12-13
    • Related Report
      2012 Final Research Report
  • [Presentation] Effects of water and cosolvents on functional molecules in solution2012

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      EMLG/JMLG Annual Meeting 2012 "Molecular association in fluid phases and at fluid interfaces"(
    • Place of Presentation
      Eger, Hungary
    • Year and Date
      2012-09-05
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 拡張型の溶媒和概念に基づく均一・不均一溶液系の自由エネルギー解析2012

    • Author(s)
      松林 伸幸
    • Organizer
      第72回分析化学討論会
    • Place of Presentation
      鹿児島大学工学部 郡元キャンパス
    • Year and Date
      2012-05-19
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Extended Concept of Solvation toward Unified Understandings of Molecular Binding in Weakly Ordered Systems2012

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      JST International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems
    • Place of Presentation
      名古屋大学 東山キャンパス ESホール
    • Year and Date
      2012-05-10
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Effects of water and cosolvents on functional molecules in solution2012

    • Author(s)
      N. Matubayasi
    • Organizer
      EMLG/JMLG Annual Meeting 2012 "Molecular association in fluid phases and at fluid interfaces",
    • Place of Presentation
      Eger, Hungary
    • Related Report
      2012 Final Research Report
  • [Presentation] Extended Concept of Solvation toward Unified Understandings of Molecular Binding in Weakly Ordered Systems2012

    • Author(s)
      N. Matubayasi
    • Organizer
      JST International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems
    • Place of Presentation
      名古屋
    • Related Report
      2012 Final Research Report
  • [Presentation] Extended Concept of Solvation toward Unified Treatment of Molecular Binding in Weakly Ordered Systems2012

    • Author(s)
      N. Matubayasi
    • Organizer
      The 2nd AICS (Advanced Institute for Computational Science) International Symposium
    • Place of Presentation
      神戸
    • Related Report
      2012 Final Research Report
  • [Presentation] 拡張型の溶媒和概念に基づくソフト分子集団の自由エネルギー解析2012

    • Author(s)
      松林 伸幸
    • Organizer
      第2回CSJ化学フェスタ2012
    • Place of Presentation
      東京工業大学 大岡山キャンパス
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Free-energy analysis of water and cosolvent effects on biomolecules in the energetic perspective2012

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Mini-Symposium on Modeling, Simulation and Function of Biomolecular Assemblies
    • Place of Presentation
      東京大学 伊藤国際学術研究センター
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Free-energy analysis of water and cosolvent effects on functional molecules in solution2012

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      RCAS Thursday Seminar
    • Place of Presentation
      台北、台湾
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Extended Concept of Solvation toward Unified Treatment of Molecular Binding in Weakly Ordered Systems2012

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      The 2nd AICS (Advanced Institute for Computational Science) International Symposium
    • Place of Presentation
      RIKEN Advanced Institute for Computational Science (神戸)
    • Related Report
      2011 Annual Research Report
    • Invited
  • [Presentation] 拡張型の溶媒和概念に基づく膜・不均一系の機能解析2011

    • Author(s)
      松林伸幸
    • Organizer
      生物物理若手の会京都支部セミナー「様々な角度からの膜の研究」
    • Place of Presentation
      京都大学理学部セミナーハウス(京都市左京区)(招待講演)
    • Year and Date
      2011-03-12
    • Related Report
      2010 Annual Research Report
  • [Presentation] Extended Concept of Solvation toward Unified Analysis of Molecular Binding in Weakly Ordered Systems2011

    • Author(s)
      N. Matubayasi
    • Organizer
      The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
    • Place of Presentation
      東京
    • Related Report
      2012 Final Research Report
  • [Presentation] Free-energy Analysis of urea effect on amino-acid analogs and proteins2011

    • Author(s)
      N. Matubayasi
    • Organizer
      Telluride Science Research Center workshop "The Physics, Chemistry, and Biology of Ions and Osmolytes in Solution"
    • Place of Presentation
      Telluride, CO, USA
    • Related Report
      2012 Final Research Report
  • [Presentation] Free-energy Analysis of urea effect on amino-acid analogs and proteins2011

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Telluride Science Research Center workshop "The Physics, Chemistry, and Biology of Ions and Osmolytes in Solution"(
    • Place of Presentation
      Telluride, USA
    • Related Report
      2011 Annual Research Report
    • Invited
  • [Presentation] Extended Concept of Solvation toward Unified Analysis of Molecular Binding in Weakly Ordered Systems2011

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
    • Place of Presentation
      早稲田大学新宿キャンパス
    • Related Report
      2011 Annual Research Report
    • Invited
  • [Presentation] 自由エネルギー計算で見るタンパク質に対する共溶媒効果2011

    • Author(s)
      狩野 康人、松林 伸幸
    • Organizer
      第63回コロイドおよび界面化学討論会
    • Place of Presentation
      京都大学吉田キャンパス
    • Related Report
      2011 Annual Research Report
    • Invited
  • [Presentation] 拡張型の溶媒和概念に基づくソフト分子集団の自由エネルギー解析2011

    • Author(s)
      松林 伸幸
    • Organizer
      東北大学グローバルCOEプログラム「分子系高次構造体化学国 際教育研究拠点」 グローバルCOEプログラムシンポジウム2011
    • Place of Presentation
      東北大学片平さくらホール
    • Related Report
      2011 Annual Research Report
    • Invited
  • [Presentation] ポリモルフから生起する分子集団機能2011

    • Author(s)
      松林伸幸、櫻庭俊
    • Organizer
      物性研・CMSI・次世代ナノ情報合同研究会「計算物質科学の課題と展望」
    • Place of Presentation
      東京大学物性研究所(千葉県柏市)(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 分子動力学計算による高分子電解質ゲルの物質透過性の研究2011

    • Author(s)
      川上智教、茂本勇、松林伸幸
    • Organizer
      物性研・CMSI・次世代ナノ情報合同研究会「計算物質科学の課題と展望」
    • Place of Presentation
      東京大学物性研究所(千葉県柏市)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Energeties of ATP Hydrolysis in cell, solution and vacuum and on protein2011

    • Author(s)
      児玉孝雄、松林伸幸、木森義孝
    • Organizer
      2011年生体運動研究合同班会議
    • Place of Presentation
      大阪市立大学杉本キャンパス(大阪市住吉区杉本3-3-138)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 分子シミュレーションと溶液理論の融合によるソフト分子集団の自由エネルギー解析2011

    • Author(s)
      松林伸幸
    • Organizer
      計算分子科学研究拠点第1回研究会
    • Place of Presentation
      自然科学研究機構・岡崎コンファレンスセンター(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] ermodの開発状況と環境調和型化学過程への適用事例2011

    • Author(s)
      松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用』プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
    • Place of Presentation
      甲南大学ポートアイランドキャンパス7階セミナーホール(神戸市中央区)(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-Energy Analysis of Protein-Membrane Interaction : Preferred Configuration of Transmembrane Protein and Roles of Lipid and Water2011

    • Author(s)
      Acep PURQON、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
    • Place of Presentation
      甲南大学ポートアイランドキャンパス7階セミナーホール(神戸市中央区)
    • Related Report
      2010 Annual Research Report
  • [Presentation] cytochrome cの構造変化に対するエネルギー解析2011

    • Author(s)
      狩野康人、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
    • Place of Presentation
      甲南大学ポートアイランドキャンパス7階セミナーホール(神戸市中央区)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 独立部分空間分析を用いたタンパク質運動の解析2011

    • Author(s)
      桜庭俊、松林伸幸、城地保昌、北尾彰朗
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
    • Place of Presentation
      甲南大学ポートアイランドキャンパス7階セミナーホール(神戸市中央区)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 2-アミノエタノール(MEA)水溶液の分子動力学的解析2011

    • Author(s)
      窪田善之、古川博敏、狩野康人、桜庭俊、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
    • Place of Presentation
      甲南大学ポートアイランドキャンパス7階セミナーホール(神戸市中央区)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 自由エネルギー計算を活用した高分子電解質の物質透過性の研究2011

    • Author(s)
      川上智教、茂本勇、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
    • Place of Presentation
      甲南大学ポートアイランドキャンパス7階セミナーホール(神戸市中央区)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 脂質膜の曲率がダイナミクスに及ぼす効果:溶液NMR-NOE測定と大規模MDによる研究2011

    • Author(s)
      新谷恵、吉田健、櫻庭俊、中原勝、松林伸幸
    • Organizer
      日本化学会第91春季年会
    • Place of Presentation
      神奈川大学横浜キャンパス
    • Related Report
      2010 Annual Research Report
  • [Presentation] グルコースの水熱反応の機構と速度論解析2011

    • Author(s)
      木村浩、中原勝、松林伸幸
    • Organizer
      日本化学会第91春季年会
    • Place of Presentation
      神奈川大学横浜キャンパス
    • Related Report
      2010 Annual Research Report
  • [Presentation] 溶液NMRによる脂質二分子膜中のドラッグ分子の相互作用位置およびダイナミクスの検討2011

    • Author(s)
      松尾勇志、新谷恵、松林伸幸
    • Organizer
      日本化学会第91春季年会
    • Place of Presentation
      神奈川大学横浜キャンパス
    • Related Report
      2010 Annual Research Report
  • [Presentation] 不斉軸に直結した中心金属を持つビナフチル化合物の合成と物性2011

    • Author(s)
      林一広、中島裕美子、小澤文幸、松林伸幸、笹森貴裕、時任宣博、川端猛夫
    • Organizer
      日本薬学会第131年会
    • Place of Presentation
      ツインメッセ静岡(静岡市)
    • Related Report
      2010 Annual Research Report
  • [Presentation] All-atom analysis of solvent effect on ATP and related systems2011

    • Author(s)
      松林伸幸
    • Organizer
      新学術領域研究「水を主役としたATPエネルギー変換」前期(2008-2010)研究成果報告会
    • Place of Presentation
      大阪ガーデンパレス(大阪市淀川区西宮原)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy analysis of cosolvent effect on amino-acid analogs and protein2011

    • Author(s)
      狩野康人、松林伸幸
    • Organizer
      新学術領域研究「水を主役としたATPエネルギー変換」前期(2008-2010)研究成果報告会
    • Place of Presentation
      大阪ガーデンパレス(大阪市淀川区西宮原)
    • Related Report
      2010 Annual Research Report
  • [Presentation] All-atom analysis of ATP hydrolysis free energy2011

    • Author(s)
      櫻庭俊、松林伸幸
    • Organizer
      新学術領域研究「水を主役としたATPエネルギー変換」前期(2008-2010)研究成果報告会
    • Place of Presentation
      大阪ガーデンパレス(大阪市淀川区西宮原)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy computation and analysis of beta subunit of F1-ATPase in water2011

    • Author(s)
      浴本亨、松林伸幸
    • Organizer
      新学術領域研究「水を主役としたATPエネルギー変換」前期(2008-2010)研究成果報告会
    • Place of Presentation
      大阪ガーデンパレス(大阪市淀川区西宮原)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy analysis of osmolyte effects of urea and its derivative on amino-acidanalogs2011

    • Author(s)
      TU Kai-min、狩野康人、櫻庭俊、松林伸幸
    • Organizer
      新学術領域研究「水を主役としたATPエネルギー変換」前期(2008-2010)研究成果報告会
    • Place of Presentation
      大阪ガーデンパレス(大阪市淀川区西宮原)
    • Related Report
      2010 Annual Research Report
  • [Presentation] NMRと計算化学の融合によるナノ不均一溶液系の動的構造の解明2010

    • Author(s)
      松林伸幸
    • Organizer
      第33回JEOL NMRユーザーズミーティング
    • Place of Presentation
      メルパルク京都(招待講演)
    • Year and Date
      2010-12-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] Recent Progress in JST/SSF Exchange Program2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Meeting of JST-SSF/Vinnova Cooperative Programme on "Multidisciplinary BIO"
    • Place of Presentation
      京都大学化学研究所
    • Year and Date
      2010-11-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] バイオ分子間相互作用形態研究における情報的粗視化モデリング2010

    • Author(s)
      松林伸幸
    • Organizer
      CREST「バイオ分子間相互作用形態の階層的モデリング」チームミーティング
    • Place of Presentation
      京都大学東京オフィス
    • Year and Date
      2010-10-07
    • Related Report
      2010 Annual Research Report
  • [Presentation] 溶液内のナノ不均一構造の自由エネルギー解析2010

    • Author(s)
      松林伸幸
    • Organizer
      新化学発展協会先端化学技術部会コンピュータケミストリ分科会講演会
    • Place of Presentation
      ハーモニーホール(東京都千代田区内神田)(招待講演)
    • Year and Date
      2010-09-01
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy analysis of functional, self-organizing systems in solution2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      理研セミナー
    • Place of Presentation
      理化学研究所基幹研究所(埼玉県和光市)(招待講演)
    • Year and Date
      2010-07-28
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy analysis of the hydration effect on cytochrome c2010

    • Author(s)
      Yasuhito Karino, Nobuyuki Matubayasi
    • Organizer
      4th Mini-Symposium on Liquids
    • Place of Presentation
      九州大学21世紀交流プラザ
    • Year and Date
      2010-06-26
    • Related Report
      2010 Annual Research Report
  • [Presentation] エネルギー表示法によるナノ不均一溶液系の自由エネルギー解析2010

    • Author(s)
      松林伸幸
    • Organizer
      九州大学理学研究院第1回物理教室談話会
    • Place of Presentation
      九州大学理学研究院(招待講演)
    • Year and Date
      2010-05-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] エネルギー表示法による溶液系の自由エネルギー解析2010

    • Author(s)
      松林伸幸
    • Organizer
      (社)近畿化学協会コンピュータ化学部会第78回例会
    • Place of Presentation
      大阪科学技術センター(招待講演)
    • Year and Date
      2010-05-21
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-Energy Analysis of Biomolecular Solvation in the Energetic Perspective2010

    • Author(s)
      N. Matubayasi
    • Organizer
      Gordon Research Conference on Water & Aqueous Solutions
    • Place of Presentation
      Holderness, NH, USA
    • Related Report
      2012 Final Research Report
  • [Presentation] Free-Energy Analysis of Nano-Organized Systems in Solution2010

    • Author(s)
      N. Matubayasi
    • Organizer
      21st IUPAC International Conference on Chemical Thermodynamics
    • Place of Presentation
      つくば
    • Related Report
      2012 Final Research Report 2010 Self-evaluation Report
  • [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective2010

    • Author(s)
      N. Matubayasi
    • Organizer
      Trilateral Scientific Seminar "Solvation in Complex Liquids: Bridging Length Scales by Theory and Experiment"
    • Place of Presentation
      Leipzig, Germany
    • Related Report
      2012 Final Research Report
  • [Presentation] Free-energy analysis of functional, self-organizing systems in solution2010

    • Author(s)
      N. Matubayasi
    • Organizer
      Workshop "Solvation of bioactive compounds: bridging theory, computation and experiment"
    • Place of Presentation
      Leipzig, Germany
    • Related Report
      2012 Final Research Report
  • [Presentation] Free-Energy Analysis of Biomolecular Solvation in the Energetic Perspective2010

    • Author(s)
      N.Matubayasi
    • Organizer
      Gordon Research Conference on Water and Aqueous Solutions
    • Place of Presentation
      Holderness, USA
    • Related Report
      2010 Self-evaluation Report
  • [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective2010

    • Author(s)
      N.Matubayasi
    • Organizer
      Trilateral Scientific Seminar "Solvation in Complex Liquids : Bridging Length Scales by Theory and Experiment
    • Place of Presentation
      Leipzig, Germany
    • Related Report
      2010 Self-evaluation Report
  • [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Trilateral Scientific Seminar "Solvation in Complex Liquids : Bridging Length Scales by Theory and Experiment"
    • Place of Presentation
      Leipzig, Germany(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-Energy Analysis of Nano-Organized Systems in Solution2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      21st IUPAC International Conference on Chemical Thermodynamics
    • Place of Presentation
      Tsukuba International Congress Center(つくば)(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-Energy Analysis of Biomolecular Solvation in the Energetic Perspective2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Gordon Research Conference on Water & Aqueous Solutions
    • Place of Presentation
      Holdemess School, Holderness, NH, USA(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] エネルギー表示法による溶媒和効果の自由エネルギー解析2010

    • Author(s)
      松林伸幸
    • Organizer
      水和ナノ構造研究会第1回研究会
    • Place of Presentation
      KKR稲取(静岡県賀茂郡)(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Structure and Energetics of Hydration for Functional Molecules in Solution2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      第48回日本生物物理学会年会
    • Place of Presentation
      東北大学川内キャンパス(招待講演)
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy analysis of hydration effect on structural stability of cytochrome c2010

    • Author(s)
      Yasuhito Karino, Nobuyuki Matubayasi
    • Organizer
      第48回日本生物物理学会年会
    • Place of Presentation
      東北大学川内キャンパス
    • Related Report
      2010 Annual Research Report
  • [Presentation] 異常な軸性不斉安定性を持つ水素結合性ビナフチル型分子のラセミ化挙動2010

    • Author(s)
      林一広、松林伸幸、Jiang Changsheng、吉村智之、椿一典、川端猛夫
    • Organizer
      第40回複素環化学討論会
    • Place of Presentation
      仙台市民会館
    • Related Report
      2010 Annual Research Report
  • [Presentation] 分子動力学法による超臨界水中の並進拡散に対する相互作用の異方性の影響の解析2010

    • Author(s)
      吉田健、中原勝、松林伸幸、魚崎泰弘
    • Organizer
      第51回高圧討論会
    • Place of Presentation
      仙台市戦災復興記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] 二酸化炭素を吸収したアミン水溶液のX線解析2010

    • Author(s)
      出口博史、窪田善之、古川博敏、八木靖幸、三谷育子、今井義博、辰巳雅彦、山崎紀子、亘紀子、平田琢也、松林伸幸、亀田恭男
    • Organizer
      第2回SPring-8合同コンファレンス
    • Place of Presentation
      東京ステーションコンファレンス
    • Related Report
      2010 Annual Research Report
  • [Presentation] 超臨界水中の自己拡散に対する水素結合の異方性の影響の動的溶媒和殼モデルによる解析2010

    • Author(s)
      吉田健、中原勝、松林伸幸、魚崎泰弘
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] cytochrome cに対する水和効果の自由エネルギー解析2010

    • Author(s)
      狩野康人、松林伸幸
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] 溶液NMRと大規模MDによる異なる曲率の脂質膜の分子間相互作用とダイナミクスの研究2010

    • Author(s)
      新谷恵、吉田健、櫻庭俊、中原勝、松林伸幸
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] グルコースの水熱反応の機構と速度論解析2010

    • Author(s)
      木村浩、中原勝、松林伸幸
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] 分子動力学計算による2-アミノエタノール(MEA)水溶液の微視的解析2010

    • Author(s)
      窪田善之、狩野康人、桜庭俊、古川博敏、松林伸幸
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] アニソールの超臨界水反応および熱分解反応に関するNMRによる研究2010

    • Author(s)
      辻野康夫、松林伸幸、中原勝
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] 1-ブチルー3-メチルイミダゾリウム ビス(トリフルオロスルホニル)アミドイオン液体へのCO2の溶解-溶媒和自由エネルギー計算と溶媒和構造-2010

    • Author(s)
      梅林泰宏、吉井未生、金久保光央、亀田恭男、藤井健太、竹内宗孝、狩野康人、松林伸幸
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Related Report
      2010 Annual Research Report
  • [Presentation] 曲率の異なる脂質膜の分子間相互作用とダイナミクス:NMR-NOE測定と大規模MDによる研究2010

    • Author(s)
      新谷恵、吉田健、櫻庭俊、中原勝、松林伸幸
    • Organizer
      膜シンポジウム2010
    • Place of Presentation
      京都大学薬学部記念講堂
    • Related Report
      2010 Annual Research Report
  • [Presentation] cytochrome cの構造変化に対する水和効果の自由エネルギー解析2010

    • Author(s)
      狩野康人、松林伸幸
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井県県民ホール
    • Related Report
      2010 Annual Research Report
  • [Presentation] 独立部分空間分析によるBiotin Carboxylaseの解析2010

    • Author(s)
      櫻庭俊、松林伸幸
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井県県民ホール
    • Related Report
      2010 Annual Research Report
  • [Presentation] 2-アミノエタノール(MEA)水溶液の分子動力学的解析2010

    • Author(s)
      窪田善之、狩野康人、桜庭俊、古川博敏、松林伸幸
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井県県民ホール
    • Related Report
      2010 Annual Research Report
  • [Presentation] 分子動力学計算による高分子電解質ゲルの物質透過性の研究2010

    • Author(s)
      川上智教、茂本勇、松林伸幸
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井県県民ホール
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy analysis of nano-organized systems in aqueous solution2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Pacifichem 2010
    • Place of Presentation
      Honolulu, Hawaii, USA
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free-energy analysis of functional, self-organizing systems in solution2010

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Workshop "Solvation of bioactive compounds : bridging theory, computation and experiment"
    • Place of Presentation
      Leipzig, Germany
    • Related Report
      2009 Annual Research Report
  • [Presentation] Solvation free energy of globular protein : a molecular dynamics study2010

    • Author(s)
      Hiroaki Saito, Taku Mizukami, Nobuyuki Matubayasi, Hidemi Nagao
    • Organizer
      International Symposium on "Molecular Theory for Real Systems"
    • Place of Presentation
      京都大学
    • Related Report
      2009 Annual Research Report
  • [Presentation] 大規模分子シミュレーションと溶液理論の融合によるナノ不均一溶液系の自由エネルギー解析2010

    • Author(s)
      松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第4回公開シンポジウム
    • Place of Presentation
      岡崎
    • Related Report
      2009 Annual Research Report
  • [Presentation] 水中におけるcytochrome cの構造安定性に対するエネルギー解析2010

    • Author(s)
      狩野康人、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第4回公開シンポジウム
    • Place of Presentation
      岡崎
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-Energy Analysis of the Preferred Configuration of Transmembrane Protein in Model Membrane : Roles of Lipid and Water2010

    • Author(s)
      Acep PURQON、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第4回公開シンポジウム
    • Place of Presentation
      岡崎
    • Related Report
      2009 Annual Research Report
  • [Presentation] イオン液体中の溶質回転運動の長時間ダイナミクス2010

    • Author(s)
      八坂能郎、若井千尋、中原勝、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第4回公開シンポジウム
    • Place of Presentation
      岡崎
    • Related Report
      2009 Annual Research Report
  • [Presentation] エネルギー表示法による高分子材料の親溶媒性の研究2010

    • Author(s)
      川上智教、茂本勇、松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第4回公開シンポジウム
    • Place of Presentation
      岡崎
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-energy analysis of the structural stability of cytochrome c2010

    • Author(s)
      Yasuhiro Karino, Nobuyuki Matubayasi
    • Organizer
      International Symposium on Hydration and ATP Energy
    • Place of Presentation
      仙台
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-Energy Analysis of the Roles of Lipid and Water in Transmembrane Protein Configuration in Model Membrane2010

    • Author(s)
      Acep Purqon, Nobuyuki Matubayasi
    • Organizer
      International Symposium on Hydration and ATP Energy
    • Place of Presentation
      仙台
    • Related Report
      2009 Annual Research Report
  • [Presentation] [CnmIm][TFSA]イオン液体中のCO2のMDシミュレーションおよび溶媒和自由エネルギー計算2010

    • Author(s)
      吉井未生、松林伸幸、竹内宗孝、梅林泰宏、石黒慎一
    • Organizer
      電気化学会第77回大会
    • Place of Presentation
      富山
    • Related Report
      2009 Annual Research Report
  • [Presentation] 溶液理論と大規模分子シミュレーションの融合による機能性分子集合系の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      JST戦略的国際科学技術協力推進事業:日瑞研究交流「核酸医薬品伝達のための新規方法論の開発」
    • Place of Presentation
      京都大学
    • Year and Date
      2009-08-10
    • Related Report
      2009 Annual Research Report
  • [Presentation] Extended Concept of Solvation toward Free-Energy Analysis of Nano-Inhomogeneous Systems2009

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      International Mini-workshop on "Hydration and ATP Energy"
    • Place of Presentation
      京都大学
    • Year and Date
      2009-07-11
    • Related Report
      2009 Annual Research Report
  • [Presentation] 溶液理論と大規模分子シミュレーションの融合による機能性分子集合系の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      第16回ファーマサイエンスフォーラム「明日の創薬と生物物理化学」
    • Place of Presentation
      北海道大学
    • Year and Date
      2009-06-11
    • Related Report
      2009 Annual Research Report
  • [Presentation] エネルギー表示法による機能性分子系の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発次世代ナノ統合シミュレーションソフトウェア説明会
    • Place of Presentation
      岡崎
    • Year and Date
      2009-03-11
    • Related Report
      2008 Annual Research Report
  • [Presentation] エネルギー表示法による機能性分子系の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      東レ計算科学要素技術連絡会
    • Place of Presentation
      大津
    • Year and Date
      2009-02-12
    • Related Report
      2008 Annual Research Report
  • [Presentation] 分子シミュレーションと溶液理論の融合による脂質膜系の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      次世代スパコン「ナノ統合拠点」連続研究会「膜、ミセル(ソフト複雑系の分子科学)」
    • Place of Presentation
      法華クラブ京都
    • Year and Date
      2009-02-10
    • Related Report
      2008 Annual Research Report
  • [Presentation] ミセルおよび脂質膜系への分子結合の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      次世代スパコン「ナノ統合拠点」連続研究会「DDSナノキャリヤー-ミセル、脂質膜、タンパク質複合体を中心として-」
    • Place of Presentation
      東京女子医科大学
    • Year and Date
      2009-01-29
    • Related Report
      2008 Annual Research Report
  • [Presentation] エネルギー表示法による溶媒効果の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      第8回化学・材料研究セミナー
    • Place of Presentation
      九州大学国際ホール
    • Year and Date
      2009-01-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective2009

    • Author(s)
      N. Matubayasi
    • Organizer
      Mini-symposium on computation of interactions in biological systems
    • Place of Presentation
      Nove Hrady, Czech
    • Related Report
      2012 Final Research Report
  • [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective2009

    • Author(s)
      N.Matubayasi
    • Organizer
      Mini-Symposium on Computation of Interactions in Biological Systems
    • Place of Presentation
      Nove Hrady, Czech Republic
    • Related Report
      2010 Self-evaluation Report
  • [Presentation] Free Energy of Solvation in the Energetic Perspective2009

    • Author(s)
      N.Matubayasi
    • Organizer
      International Symposium on Multi-Scale Dynamics of Protein Complex Formation and Function
    • Place of Presentation
      東京
    • Related Report
      2010 Self-evaluation Report
  • [Presentation] Free energy of solvation in the energetic perspective2009

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      International Symposium on Multi-Scale Dynamics of Protein Complex Formation and Function
    • Place of Presentation
      東京大学
    • Related Report
      2009 Annual Research Report
  • [Presentation] Self-Diffusion for Water and Organic Solvents in Sub- and Supercritical Conditions Studied by High-Temperature NMR method2009

    • Author(s)
      Ken Yoshida, Nobuyuki Matubayasi, Yasuhiro Uosaki, Masaru Nakahara
    • Organizer
      Joint AIRAPT-22 & HPCJ-50
    • Place of Presentation
      Tokyo International Exchange Center
    • Related Report
      2009 Annual Research Report
  • [Presentation] Hydrothermal Chemistry of Formic Acid and a New Scheme of Hydrogen Technology2009

    • Author(s)
      Masaru Nakahara, Ken Yoshida, Yoshiro Yasaka, Yasuo Tsujino, Chihiro Wakai, Nobuyuki Matubayasi
    • Organizer
      Joint AIRAPT-22 & HPCJ-50
    • Place of Presentation
      Tokyo International Exchange Center
    • Related Report
      2009 Annual Research Report
  • [Presentation] ATP加水分解の自由エネルギー解析:エネルギー表示法による水・タンパク質複合系の自由エネルギー計算2009

    • Author(s)
      松林伸幸
    • Organizer
      新学術領域研究「水を主役としたATPエネルギー変換」第1回全体会議
    • Place of Presentation
      大阪ガーデンパレス
    • Related Report
      2009 Annual Research Report
  • [Presentation] 分子動力学法による球状タンパク質の水和特性評価2009

    • Author(s)
      齋藤大明、松本圭介、中村力、水上卓、松林伸幸、西川清、長尾秀実
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-Energy Analysis of Functional, Self-Organizing Systems in Solution2009

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      NSYSU-KU Bilateral Symposium on Materials Chemistry
    • Place of Presentation
      国立中山大学(高雄、台湾)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Hybrid quantum mechanical/molecular mechanical approach to the computation of the free energy change for chemical reactions in condensed systems2009

    • Author(s)
      H.Takahashi, R.Kishi, M.Nakano, N.Matubayasi
    • Organizer
      The 12th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      北京(中国)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Solvation Free Energy of Globular Proteins : A Molecular Dynamics Study2009

    • Author(s)
      Hiroaki Saito, Taku Mizukami, Nobuyuki Matubayasi, Kiyoshi Nishikawa, Hidemi Nagao
    • Organizer
      International Conference on Computational Science 2009
    • Place of Presentation
      Bali, Indonesia
    • Related Report
      2009 Annual Research Report
  • [Presentation] 水和自由エネルギー計算を用いたcytochrome cの水中での構造安定性に関する研究2009

    • Author(s)
      狩野康人、松林伸幸
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      新潟
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-Energy Analysis of the Configuration of Transmembrane Protein in Model Membrane : Roles of Lipid and Water2009

    • Author(s)
      Acep PURQON、松林伸幸
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      新潟
    • Related Report
      2009 Annual Research Report
  • [Presentation] MDシミュレーションによるイオン液体中の回転運動の長時間ダイナミクス解析2009

    • Author(s)
      八坂能郎、若井千尋、中原勝、松林伸幸
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      新潟
    • Related Report
      2009 Annual Research Report
  • [Presentation] テトラヒドロピランの高温反応の機構と速度論研究2009

    • Author(s)
      木村浩、中原勝、松林伸幸
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      新潟
    • Related Report
      2009 Annual Research Report
  • [Presentation] 生体モデル膜への分子結合様式はどのように曲率に依存するか?2009

    • Author(s)
      新谷恵、中原勝、松林伸幸
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      新潟
    • Related Report
      2009 Annual Research Report
  • [Presentation] イオン液体中でのアルデヒド不均化反応2009

    • Author(s)
      伊能博臣、八坂能郎、若井千尋、中原勝、松林伸幸
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      新潟
    • Related Report
      2009 Annual Research Report
  • [Presentation] 超臨界水中の並進および溶媒和殻のダイナミクスに対して水素結合相互作用の異方性の与える影響2009

    • Author(s)
      吉田健、中原勝、松林伸幸、魚崎泰弘
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      新潟
    • Related Report
      2009 Annual Research Report
  • [Presentation] 全原子型シミュレーションによる球状タンパク質の水和特性評価2009

    • Author(s)
      齋藤大明、松本圭介、中村力、水上卓、松林伸幸、西川清、長尾秀実
    • Organizer
      第23回分子シミュレーション討論会
    • Place of Presentation
      名古屋
    • Related Report
      2009 Annual Research Report
  • [Presentation] 水中におけるcytochrome cの構造安定性:エネルギー表示法を用いた水和自由エネルギー計算による研究2009

    • Author(s)
      狩野康人、松林伸幸
    • Organizer
      第23回分子シミュレーション討論会
    • Place of Presentation
      名古屋
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-Energy Analysis of the Preferred Configuration of Transmembrane Protein in Model Membrane : Roles of Lipid and Water2009

    • Author(s)
      Acep PURQON、松林伸幸
    • Organizer
      第23回分子シミュレーショシ討論会
    • Place of Presentation
      名古屋
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-Energy Analysis of Functional, Self-Organizing Systems in Solution2009

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Meeting of JST-SSF/Vinnova Cooperative Programme on "Multidisciplinary BIO"
    • Place of Presentation
      Stockholm University (Sweden)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective2009

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      ini-symposium on computation of interactions in biological systems
    • Place of Presentation
      Nove Hrady (Czech)
    • Related Report
      2009 Annual Research Report
  • [Presentation] エネルギー表示溶液理論と分子シミュレーションの融合による溶液系の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      第3回分子シミュレーションスクール -基礎から応用まで-
    • Place of Presentation
      岡崎
    • Related Report
      2009 Annual Research Report
  • [Presentation] エネルギー表示法による機能性分子の脂質膜結合の自由エネルギー解析2009

    • Author(s)
      Acep PURQON、松林伸幸、中原勝
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第3回公開シンポジウム
    • Place of Presentation
      岡崎
    • Related Report
      2008 Annual Research Report
  • [Presentation] NMRを用いた単糖の熱分解挙動の解析2009

    • Author(s)
      木村浩、松林伸幸、中原勝
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      船橋
    • Related Report
      2008 Annual Research Report
  • [Presentation] 溶液NMRによる脂質膜中のドラッグ分子の運動性を支配する相互作用因子の検討2009

    • Author(s)
      新谷恵、松林伸幸、中原勝
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      船橋
    • Related Report
      2008 Annual Research Report
  • [Presentation] イオン液体中でのアルデヒド不均化反応2009

    • Author(s)
      伊能博臣、八坂能郎、若井千尋、松林伸幸、中原勝
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      船橋
    • Related Report
      2008 Annual Research Report
  • [Presentation] 溶液内のナノスケール構造体の自由エネルギー解析2009

    • Author(s)
      松林伸幸
    • Organizer
      電気化学会第76回大会
    • Place of Presentation
      京都
    • Related Report
      2008 Annual Research Report
  • [Presentation] 溶液化学の現状と将来の展望2009

    • Author(s)
      中原勝
    • Organizer
      電気化学会第76回大会
    • Place of Presentation
      京都
    • Related Report
      2008 Annual Research Report
  • [Presentation] エネルギー表示法による溶媒効果の自由エネルギー解析2008

    • Author(s)
      松林伸幸
    • Organizer
      第7回九州溶液化学懇談会
    • Place of Presentation
      九州大学
    • Year and Date
      2008-07-23
    • Related Report
      2008 Annual Research Report
  • [Presentation] エネルギー表示法による溶媒効果の自由エネルギー解析2008

    • Author(s)
      松林伸幸
    • Organizer
      富士通計算化学ユーザーフォーラム2008
    • Place of Presentation
      富士通幕張システムラボラトリ
    • Year and Date
      2008-06-11
    • Related Report
      2008 Annual Research Report
  • [Presentation] Free-Energy Analysis of, Functional, Self-Organizing Systems in Solution2008

    • Author(s)
      N. Matubayasi, W. Shinoda, M. Nakahara
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      Tokyo Academic, Park
    • Related Report
      2008 Annual Research Report
  • [Presentation] MD Simulation on the Slow Rotational Dynamics in Ionic Liquids2008

    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, M. Nakahara
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      Tokyo Academic Park
    • Related Report
      2008 Annual Research Report
  • [Presentation] The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience2008

    • Author(s)
      Andoh, N. Yoshii, K. Yoshida, N. Matubayasi, M. Nakahara, S. Okazaki
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscienc
    • Place of Presentation
      Tokyo Academic Park
    • Related Report
      2008 Annual Research Report
  • [Presentation] Free-Energy Analysis of Nano-Organized Systems in Solution2008

    • Author(s)
      N. Matubayasi
    • Organizer
      The 2nd International Symposium on "Molecular Theory for Real Systems"
    • Place of Presentation
      剛崎
    • Related Report
      2008 Annual Research Report
  • [Presentation] Molecular dynamics study on molecular origin of 1H-NMR spectrum of cholesterol in lipid bilayer2008

    • Author(s)
      Yoshimichi Andoh, Noriyuki Yoshii, Ken Yoshida, Nobuyuki Matsubayashi, Masaru Nakahara and Susumu Okazaki
    • Organizer
      EMLG/JMLG Annual Meeting 2008
    • Place of Presentation
      リスボン
    • Related Report
      2008 Annual Research Report
  • [Presentation] Diffusion Dynamics of Supercritical Water Studied, by NMR and MD2008

    • Author(s)
      Nobuyuki Matubayasi, Ken Yoshida, and M. Nakahara
    • Organizer
      The 15th International Conference on the Properties of Water and Steam
    • Place of Presentation
      ベルリン
    • Related Report
      2008 Annual Research Report
  • [Presentation] Kinetics and Equilibrium of the Reversible Formic Acid Decomposition in Hot Water2008

    • Author(s)
      Yoshiro Yasaka, Ken Yoshida, Chihiro Wakai, N. Matubayasi, and M. Nakahara
    • Organizer
      The 15th International Conference on the Properties of Water and Steam
    • Place of Presentation
      ベルリン
    • Related Report
      2008 Annual Research Report
  • [Presentation] High-Temperature Multinuclear-Magnetic-Resonance Probe for the Analysis of Structure, Dynamics, and Chemical Reactigns in Supercritical Water2008

    • Author(s)
      T. Ikeda, T. Anai, K. Yoshida, N. Matubayasi, and M. Nakahara
    • Organizer
      The 15th International Conference on the Properties of Water and Steam
    • Place of Presentation
      ベルリン
    • Related Report
      2008 Annual Research Report
  • [Presentation] Molecular dynamics study on molecular origin of 1H-NMR spectrum of cholesterol in lipid bilayer2008

    • Author(s)
      Y. Andoh, N. Yoshii, Ken Yoshida, N. Matsubayashi, M. Nakahara, and S. Okazaki
    • Organizer
      The 15th International Conference on the Properties of Water and Steam
    • Place of Presentation
      ベルリン
    • Related Report
      2008 Annual Research Report
  • [Presentation] Free-energy change of Inserting Halothane into Different Depths of a DMPC Membrane2008

    • Author(s)
      P. -L. Chau, K. M. Tu, K. K. Liang, S. L. Chan, and Nobuyuki Matubayasi
    • Organizer
      CCP5 Annual Meeting Surfaces and Interfaces
    • Place of Presentation
      ロンドン
    • Related Report
      2008 Annual Research Report
  • [Presentation] エネルギー表示法によるタンパク質への基質結合の自由エネルギー解析2008

    • Author(s)
      松林伸幸、中原勝
    • Organizer
      第31回溶液化学シンポジウム
    • Place of Presentation
      近畿大学
    • Related Report
      2008 Annual Research Report
  • [Presentation] NMRによるイオン液体中の酸性不純物の微量分析2008

    • Author(s)
      八坂能郎、若井千尋、松林伸幸、中原勝
    • Organizer
      第31回溶液化学シンポジウム
    • Place of Presentation
      近畿大学
    • Related Report
      2008 Annual Research Report
  • [Presentation] リン脂質二分子膜中に取り込まれたドラッグのNMR観測2008

    • Author(s)
      新谷恵、松林伸幸、中原勝
    • Organizer
      第31回溶液化学シンポジウム
    • Place of Presentation
      近畿大学
    • Related Report
      2008 Annual Research Report
  • [Presentation] 単糖・二糖の燃焼分解挙動のNMR観察2008

    • Author(s)
      木村浩、松林伸幸、中原勝
    • Organizer
      第31回溶液化学シンポジウム
    • Place of Presentation
      近畿大学
    • Related Report
      2008 Annual Research Report
  • [Presentation] 回転運動方程式の解法および溶液理論に基づく自由エネルギー計算法の新規開発と応用2008

    • Author(s)
      松林伸幸
    • Organizer
      第22回分子シミュレーション討論会
    • Place of Presentation
      岡山大学
    • Related Report
      2008 Annual Research Report
  • [Presentation] エネルギー表示法によるタンパク質への基質結合の自由エネルギー解析2008

    • Author(s)
      松林伸幸、中原勝
    • Organizer
      第22回分子シミュレーション討論会
    • Place of Presentation
      岡山大学
    • Related Report
      2008 Annual Research Report
  • [Presentation] エネルギー表示法による溶液中での接触イオン対生成の自由エネルギー(その2)2008

    • Author(s)
      竹内宗孝、松林伸幸、梅林泰宏、石黒慎一
    • Organizer
      第22回分子シミュレーション討論会
    • Place of Presentation
      岡山大学
    • Related Report
      2008 Annual Research Report
  • [Presentation] 水和自由エネルギー計算はどこまできたか? -精度と規模、現状とブレークスルー-2008

    • Author(s)
      松林伸幸
    • Organizer
      第46回日本生物物理学会
    • Place of Presentation
      博多
    • Related Report
      2008 Annual Research Report
  • [Book] 超臨界水と脂質膜,巨大分子系の計算化学超大型計算機時代の理論化学の新展開11章2012

    • Author(s)
      松林伸幸
    • Publisher
      CSJカレントレビュー, 化学同人
    • Related Report
      2012 Final Research Report
  • [Book] Development of a Quantum ChemicalMethod Combined with a Theory of Solutions--Free-Energy Calculation fbr ChemicalReactions by Condensed Phase Simulations2010

    • Author(s)
      H. Takahashi, N. MatUbayasi, and M. Nakano
    • Publisher
      Advances in Quantum Chemistry, vol 59
    • Related Report
      2012 Final Research Report
  • [Book] Advances in QuantumChemistry, vol592010

    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakan
    • Publisher
      Development of a Quantum ChemicalMethod Combined with a Theory ofSolutions -- Free-Energy Calculation forChemical Reactions by Condensed PhaseSimulations
    • Related Report
      2010 Self-evaluation Report
  • [Book] Development of a Quantum Chemical Method Combined with a Theory of Solutions - Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations2010

    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Total Pages
      68
    • Publisher
      Advances in Quantum Chemistry
    • Related Report
      2009 Annual Research Report
  • [Book] 熱測定(ISSN: 0386-2615), 36 (3)2009

    • Author(s)
      松林伸幸
    • Publisher
      エネルギー表示法による溶媒和の自由エネルギー解析
    • Related Report
      2010 Self-evaluation Report
  • [Book] Frontiers in Bioscience 142009

    • Author(s)
      N.Matubayasi
    • Publisher
      Free-Energy Analysis ofSolvation with the Method of EnergyRepresentation
    • Related Report
      2010 Self-evaluation Report
  • [Remarks] 本研究で用いた自由エネルギー計算ソフト Ermodを公開

    • URL

      http://sourceforge.net/projects/ermod/

    • Related Report
      2012 Final Research Report
  • [Patent(Industrial Property Rights)] 細胞・微生物の NMR測定方法および NMR用プローブ並びに NMR制御装置2012

    • Inventor(s)
      池田武義、中原勝、松林伸幸、若井千尋
    • Industrial Property Rights Holder
      池田武義、中原勝、松林伸幸、若井千尋
    • Acquisition Date
      2012-07-27
    • Related Report
      2012 Final Research Report
  • [Patent(Industrial Property Rights)] 水熱反応を利用した水素の製造方法2010

    • Inventor(s)
      中原勝、松林伸幸、若井千尋、吉田健
    • Industrial Property Rights Holder
      中原勝、松林伸幸、若井千尋、吉田健
    • Acquisition Date
      2010-03-26
    • Related Report
      2012 Final Research Report
  • [Patent(Industrial Property Rights)] 水素の製造方法2009

    • Inventor(s)
      中原勝、松林伸幸、八坂能郎
    • Industrial Property Rights Holder
      中原勝、松林伸幸、八坂能郎
    • Acquisition Date
      2009-07-28
    • Related Report
      2012 Final Research Report
    • Overseas
  • [Patent(Industrial Property Rights)] 高温測定用 NMRプローブ2009

    • Inventor(s)
      中原勝、松林伸幸、若井千尋、池田武義
    • Industrial Property Rights Holder
      中原勝、松林伸幸、若井千尋、池田武義
    • Acquisition Date
      2009-06-26
    • Related Report
      2012 Final Research Report

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Published: 2008-04-01   Modified: 2018-03-28  

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