MD and NMR Analysis of Drug Distribution and Aggregationin Lipid Bilayer

• Project/Area Number: 21300111
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Bioinformatics/Life informatics
• Research Institution: Kyoto University
• Principal Investigator: MATUBAYASI Nobuyuki 京都大学, 化学研究所, 准教授 (20281107)
• Co-Investigator(Kenkyū-buntansha): WAKAI Chihiro 京都大学, 化学研究所, 助教 (40293948)
• Project Period (FY): 2009 – 2012
• Project Status: Completed (Fiscal Year 2012)
• Budget Amount: ¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000); Fiscal Year 2012: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000); Fiscal Year 2011: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000); Fiscal Year 2010: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000); Fiscal Year 2009: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
• Keywords: コンピュータシミュレーション / 脂質二重膜 / 溶液理論 / 自由エネルギー / NOE / ペプチド / NMR / バイセル / 分子動力学シミュレーション / 曲率 / 分布関数 / ナフタレン誘導体 / 脂質 / 二重膜 / ミセル / エネルギー表示 / NOESY / 分配係数

Research Abstract

The insight of the molecular binding into lipid bilayer is crucial in understanding the drug and anesthesia actions. In the present project, an approach is established which combines the theoretical/computational method (large-scale molecular simulation and solution theory in the energy representation) and the experimental method (NMR-NOE). The binding strength and mode are analyzed for a variety of molecules ranging from small anesthetic to transmembrane protein of ~20 residues.

Research Products

• [Journal Article] Anion-Dependence of Fast Relaxation Component in Na-, K-Halide 2 Solutions at Low Concentrations Measured by High-Resolution 3 Microwave Dielectric Spectroscopy (2013)
  • 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
  • Peer Reviewed
• [Journal Article] Effect of heavy hydrogen isotopes on the vibrational line shape for supercritical water through rotational couplings (2013)
  • 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
  • Peer Reviewed
• [Journal Article] Molecular Dynamics Simulations of Yeast F1-ATPase Before and After 16-degree Rotation of the Gamma Subunit (2013)
  • Author(s): Yuko Ito, Takashi Yoshidome, Nobuyuki Matubayashi, Masahiro Kinoshita, Mitsunori Ikeguchi
  • Journal Title: The journal of Physical Chemistry B Volume: 117 Issue: 12 Pages: 3298-3307
  • DOI: 10.1021/jp312499u
  • Peer Reviewed
• [Journal Article] Solvent Effect on Pathways and Mechanisms for D-Fructose Conversion to 5-Hydroxymethyl-2-furaldehyde: In Situ^<13>C NMR Study (2013)
  • 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
  • Peer Reviewed
• [Journal Article] Interaction-component analysis of the urea effect on amino acid analogs (2013)
  • 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
  • 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 method (2013)
  • 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
  • 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 representation (2013)
  • 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
  • Peer Reviewed
• [Journal Article] High-Energy X-ray Diffraction Study on the Intramolecular Structure of 2-Aminoethanol in the Liquid State (2013)
  • 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
  • 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 representation (2012)
  • Author(s): T. Kawakami, I. Shigemoto, and N. Matubayasi
  • Journal Title: J. Chem. Phys Volume: 137 Issue: 23
  • DOI: 10.1063/1.4770334
  • Peer Reviewed
• [Journal Article] Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion (2012)
  • 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
  • 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 representation (2012)
  • 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
  • Peer Reviewed
• [Journal Article] Density effect on infrared spectrum for supercritical water in the low- and medium-density region studied by molecular dynamics simulation (2012)
  • 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
  • Peer Reviewed
• [Journal Article] Nuclear magnetic resonance study on rotational dynamics of water and benzene in a series of ionic liquids: Anion and cation effects (2012)
  • 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
  • Peer Reviewed
• [Journal Article] Non-catalytic Hydrothermal Elimination of Terminal D-Glucose Unit from Malto- and Cello-oligosaccharides through Transformation to D-Fructose (2012)
  • 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
  • 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 Effect (2012)
  • Author(s): Takashi Yoshidome, Yuko Ito, Nobuyuki Matubayashi, Mitunori Ikeguchi, Masahiro Kinoshita
  • Journal Title: Journal of Chemical Physics Volume: 137 Issue: 3 Pages: 8-8
  • DOI: 10.1063/1.4734298
  • Peer Reviewed
• [Journal Article] Interaction of naphthalene derivatives with lipid in membrane studied by 1H-nuclear Overhauser effect and molecular dynamics simulation (2012)
  • 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
  • Peer Reviewed
• [Journal Article] A possible molecular mechanism for the pressure reversal of general anaesthetics: aggregation of halothane in POPC bilayers at high pressure (2012)
  • 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
  • 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 solutions (2012)
  • 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
  • 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 Solvents (2012)
  • 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
  • Peer Reviewed
• [Journal Article] The effect of pressure on halothane binding to hydrated DMPC bilayers (2012)
  • 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
  • Peer Reviewed
• [Journal Article] Rotational dynamics of benzene and water in an ionic liquid explored via molecular dynamics simulations and NMR T1 measurements (2012)
  • 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
  • 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 representation (2012)
  • Author(s): N.Matubayasi, H.Takahashi
  • Journal Title: Journal of Chemical Physics Volume: 136 Issue: 4
  • DOI: 10.1063/1.3677184
  • Peer Reviewed
• [Journal Article] Pathways and Kinetics of Anisole Pyrolysis Studied by NMR and Selective ^<13>C Labeling. Heterolytic Carbon Monoxide Generation (2012)
  • 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
  • Peer Reviewed
• [Journal Article] In Situ Kinetic Study on Hydrothermal Transformation of D-Glucose into 5-Hydroxymethylfurfural through D-Fructose with ^<13>C NMR (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Frequency-Domain Investigation of the Ionic Mobility of Triflate Salts in Tetrahy drofuran (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Hydration structure around CO_2 captured in aqueous amine solutions observed by high energy X-ray scattering (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Distribution-function approach to free energy computation (2011)
  • Author(s): S.Sakuraba, N.Matubayasi
  • Journal Title: Journal of Chemical Physics Volume: 134 Issue: 11
  • DOI: 10.1063/1.3637036
  • NAID: 120003437103
  • Peer Reviewed
• [Journal Article] NMR-NOE and MD Simulation Study on Phospholipid Membranes : Dependence on Membrane Diameter and Multiple Time Scale Dynamics (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface (2011)
  • 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
  • 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 dynamics (2011)
  • 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
  • Peer Reviewed
• [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent: Equilibrium fluctuation of cytochrome c (2011)
  • Author(s): Y. Karino and N. Matubayasi
  • Journal Title: J. Chem. Phys Volume: 134 Issue: 4
  • DOI: 10.1063/1.3535560
  • Peer Reviewed
• [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent : Equilibrium fluctuation of cytochrome c (2011)
  • Author(s): Y.Karino, N.Matubayasi
  • Journal Title: J.Chem.Phys. Volume: 134(Communication)
  • Peer Reviewed
• [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface (2011)
  • Author(s): H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
  • Journal Title: J.Phys.Chem.B Volume: 115(印刷中)
  • Peer Reviewed
• [Journal Article] Hydration property of globular proteins: An analysis of solvation free energy by energy representation method (2010)
  • 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
  • Peer Reviewed
• [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution (2010)
  • 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
  • Peer Reviewed
• [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of emperatures and Densities (2010)
  • 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
  • Peer Reviewed
• [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N Hydrogen Bond (2010)
  • 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
  • Peer Reviewed
• [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid (2010)
  • 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
  • Peer Reviewed
• [Journal Article] Newly Designed Neutron Diffraction Cell for Fluids at High Temperatures and High Pressures (2010)
  • 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
  • Peer Reviewed
• [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid (2010)
  • Author(s): Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
  • Journal Title: J.Phys.Chem.A Volume: 114 Pages: 3510-3515
  • Peer Reviewed
• [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N Hydrogen Bond (2010)
  • 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
  • Peer Reviewed
• [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of Temperatures and Densities (2010)
  • Author(s): K.Yoshida, N.Matubayasi, Y.Uosaki, M.Nakahara
  • Journal Title: J.Chem.Eng.Data Volume: 55 Pages: 2815-2823
  • Peer Reviewed
• [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution (2010)
  • Author(s): Y.Karino, M.V.Fedorov, N.Matubayasi
  • Journal Title: Chem.Phys.Lett. Volume: 496 Pages: 351-355
  • NAID: 120002561295
  • Peer Reviewed
• [Journal Article] Hydration property of globular proteins : An analysis of solvation free energy by energy representation method (2010)
  • Author(s): H.Saito, N.Matubayasi, K.Nishikawa, H.Nagao
  • Journal Title: Chem.Phys.Lett. Volume: 497 Pages: 218-222
  • 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
  • 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 Simulations (2010)
  • Author(s): H.Takahashi, N.Matubayasi, M.Nakano
  • Journal Title: Advances in Quantum Chemistry Volume: 59 Pages: 283-351
  • 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
• [Journal Article] Newly Designed Neutron Diffraction Cell for Fluids at High Temperatures and High Pressures (2010)
  • Author(s): H.Iwase, N.Matubayasi, Y.Kameda, K.Itoh, T.Otomo, M.Nakahara
  • Journal Title: Japanese Journal of Applied Physics 49
  • NAID: 40016941288
  • Peer Reviewed
• [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states (2009)
  • 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
  • Peer Reviewed
• [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids (2009)
  • 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
  • Peer Reviewed
• [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids (2009)
  • Author(s): Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
  • Journal Title: Analytical Chemistry 81 Pages: 400-407
  • Peer Reviewed
• [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states (2009)
  • Author(s): K.Yoshida, N.Matubayasi, M.Nakahara
  • Journal Title: J.Mol.Liq. 147 Pages: 96-101
  • Peer Reviewed
• [Journal Article] Free-Energy Analysis of Solvation with the Method of Energy Representation (2009)
  • Author(s): 松林伸幸
  • Journal Title: Frontiers in Bioscience 14 Pages: 3536-3549
  • NAID: 10025613007
  • 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
  • Peer Reviewed
• [Presentation] Interaction-component analysis of hydration and cosolvent effects on protein structure (2013)
  • 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
  • Invited
• [Presentation] Free-energy analysis of water and cosolvent effects on functional molecules in solution (2012)
  • Author(s): N. Matubayasi
  • Organizer: RCAS Thursday Seminar
  • Place of Presentation: Taipei, Taiwan
  • Year and Date: 2012-12-13
• [Presentation] Effects of water and cosolvents on functional molecules in solution (2012)
  • Author(s): N. Matubayasi
  • Organizer: EMLG/JMLG Annual Meeting 2012 "Molecular association in fluid phases and at fluid interfaces"
  • Place of Presentation: Eger, Hungary
• [Presentation] Extended Concept of Solvation toward Unified Understandings of Molecular Binding in Weakly Ordered Systems (2012)
  • Author(s): N. Matubayasi
  • Organizer: JST International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems
  • Place of Presentation: 名古屋
• [Presentation] Extended Concept of Solvation toward Unified Treatment of Molecular Binding in Weakly Ordered Systems (2012)
  • Author(s): N. Matubayasi
  • Organizer: The 2nd AICS (Advanced Institute for Computational Science) International Symposium
  • Place of Presentation: 神戸
• [Presentation] Extended Concept of Solvation toward Unified Understandings of Molecular Binding in Weakly Ordered Systems (2012)
  • 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
  • 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
  • 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 (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
  • Invited
• [Presentation] Free-energy analysis of water and cosolvent effects on biomolecules in the energetic perspective (2012)
  • 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
  • Invited
• [Presentation] Free-energy analysis of water and cosolvent effects on functional molecules in solution (2012)
  • Author(s): Nobuyuki Matubayasi
  • Organizer: RCAS Thursday Seminar
  • Place of Presentation: 台北、台湾
  • Invited
• [Presentation] Extended Concept of Solvation toward Unified Treatment of Molecular Binding in Weakly Ordered Systems (2012)
  • 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)
  • 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
• [Presentation] Extended Concept of Solvation toward Unified Analysis of Molecular Binding in Weakly Ordered Systems (2011)
  • Author(s): N. Matubayasi
  • Organizer: The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
  • Place of Presentation: 東京
• [Presentation] Free-energy Analysis of urea effect on amino-acid analogs and proteins (2011)
  • 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
• [Presentation] Free-energy Analysis of urea effect on amino-acid analogs and proteins (2011)
  • 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
  • Invited
• [Presentation] Extended Concept of Solvation toward Unified Analysis of Molecular Binding in Weakly Ordered Systems (2011)
  • 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
  • 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
  • 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
  • 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)
• [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)
• [Presentation] Energetics of ATP Hydrolysis in cell, solution and vacuum and on protein (2011)
  • 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)
• [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)
• [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)
• [Presentation] Free-Energy Analysis of Protein-Membrane Interaction : Preferred Configuration of Transmembrane Protein and Roles of Lipid and Water (2011)
  • 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)
• [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)
• [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)
• [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)
• [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)
• [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
• [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
• [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
• [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)
• [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
• [Presentation] Recent Progress in JST/SSF Exchange Program (2010)
  • 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
• [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
• [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
• [Presentation] Free-energy analysis of functional, self-organizing systems in solution (2010)
  • 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
• [Presentation] Free-energy analysis of the hydration effect on cytochrome c (2010)
  • 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
• [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
• [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
• [Presentation] Free-Energy Analysis of Biomolecular Solvation in the Energetic Perspective (2010)
  • Author(s): N. Matubayasi
  • Organizer: Gordon Research Conference on Water & Aqueous Solutions
  • Place of Presentation: Holderness, NH, USA
• [Presentation] Free-Energy Analysis of Nano-Organized Systems in Solution (2010)
  • Author(s): N. Matubayasi
  • Organizer: 21st IUPAC International Conference on Chemical Thermodynamics
  • Place of Presentation: つくば
• [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective (2010)
  • Author(s): N. Matubayasi
  • Organizer: Trilateral Scientific Seminar "Solvation in Complex Liquids: Bridging Length Scales by Theory and Experiment"
  • Place of Presentation: Leipzig, Germany
• [Presentation] Free-energy analysis of functional, self-organizing systems in solution (2010)
  • Author(s): N. Matubayasi
  • Organizer: Workshop "Solvation of bioactive compounds: bridging theory, computation and experiment"
  • Place of Presentation: Leipzig, Germany
• [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective (2010)
  • 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)
• [Presentation] Free-Energy Analysis of Nano-Organized Systems in Solution (2010)
  • 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)
• [Presentation] Free-Energy Analysis of the Hydration Effect on Cytochrome c (2010)
  • Author(s): Yasuhito Karino, Nobuyuki Matubayasi
  • Organizer: 21st IUPAC International Conference on Chemical Thermodynamics
  • Place of Presentation: Tsukuba International Congress Center(つくば)
• [Presentation] Free-Energy Analysis of Biomolecular Solvation in the Energetic Perspective (2010)
  • Author(s): Nobuyuki Matubayasi
  • Organizer: Gordon Research Conference on Water & Aqueous Solutions
  • Place of Presentation: Holderness School, Holderness, NH, USA(招待講演)
• [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)
• [Presentation] Structure and Energetics of Hydration for Functional Molecules in Solution (2010)
  • 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)
• [Presentation] Free-energy analysis of hydration effect on structural stability of cytochrome c (2010)
  • 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
• [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
• [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
• [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
• [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殻モデルによる解析 (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
• [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
• [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
• [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
• [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、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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [Presentation] Free-energy analysis of nano-organized systems in aqueous solution (2010)
  • Author(s): Nobuyuki Matubayasi
  • Organizer: Pacifichem 2010
  • Place of Presentation: Honolulu, Hawaii, USA
• [Presentation] Free-energy analysis of functional, self-organizing systems in solution (2010)
  • Author(s): 松林伸幸
  • Organizer: Workshop "Solvation of bioactive compounds : bridging theory, computation and experiment"
  • Place of Presentation: Leipzig, Germany
• [Presentation] Solvation free energy of globular protein : a molecular dynamics study (2010)
  • 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
• [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
• [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
• [Presentation] Free-Energy Analysis of the Preferred Configuration of Transmembrane Protein in Model Membrane : Roles of Lipid and Water (2010)
  • 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
• [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
• [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
• [Presentation] Free-energy analysis of the structural stability of cytochrome c (2010)
  • Author(s): 狩野康人, 松林伸幸
  • Organizer: International Symposium on Hydration and ATP Energy
  • Place of Presentation: 仙台
• [Presentation] Free-Energy Analysis of the Roles of Lipid and Water in Transmembrane Protein Configuration in Model Membrane (2010)
  • Author(s): Acep Purqon, Nobuyuki Matubayasi
  • Organizer: International Symposium on Hydration and ATP Energy
  • Place of Presentation: 仙台
• [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
• [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
• [Presentation] Extended Concept of Solvation toward Free-Energy Analysis of Nano-Inhomogeneous Systems (2009)
  • Author(s): 松林伸幸
  • Organizer: International Mini-workshop on "Hydration and ATP Energy"
  • Place of Presentation: 京都大学
  • Year and Date: 2009-07-11
• [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
• [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective (2009)
  • Author(s): N. Matubayasi
  • Organizer: Mini-symposium on computation of interactions in biological systems
  • Place of Presentation: Nove Hrady, Czech
• [Presentation] Free energy of solvation in the energetic perspective (2009)
  • Author(s): 松林伸幸
  • Organizer: International Symposium on Multi-Scale Dynamics of Protein Complex Formation and Function
  • Place of Presentation: 東京大学
• [Presentation] Self-Diffusion for Water and Organic Solvents in Sub-and Supercritical Conditions Studied by High-Temperature NMR method (2009)
  • Author(s): Ken Yoshida, Nobuyuki Matubayasi, Yasuhiro Uosaki, Masaru Nakahara
  • Organizer: Joint AIRAPT-22 & HPCJ-50
  • Place of Presentation: Tokyo International Exchange Center
• [Presentation] Hydrothermal Chemistry of Formic Acid and a New Scheme of Hydrogen Technology (2009)
  • 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
• [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
• [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
• [Presentation] Free-Energy Analysis of Functional, Self-Organizing Systems in Solution (2009)
  • Author(s): 松林伸幸
  • Organizer: NSYSU-KU Bilateral Symposium on Materials Chemistry
  • Place of Presentation: 国立中山大学 (高雄、台湾)
• [Presentation] Hybrid quantum mechanical/molecular mechanical approach to the computation of the free energy change for chemical reactions in condensed systems (2009)
  • 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)
• [Presentation] Solvation Free Energy of Globular Proteins : A Molecular Dynamics Study (2009)
  • Author(s): Hiroaki Saito, Taku Mizukami, Nobuyuki Matubayasi, Kiyoshi Nishikawa, Hidemi Nagao
  • Organizer: International Conference on Computational Science 2009
  • Place of Presentation: Bali, Indonesia
• [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
• [Presentation] Free-Energy Analysis of the Configuration of Transmembrane Protein in Model Membrane : Roles of Lipid and Water (2009)
  • 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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [Presentation] Free-Energy Analysis of the Preferred Configuration of Transmembrane Protein in Model Membrane : Roles of Lipid and Water (2009)
  • Author(s): Acep PURQON, 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
• [Presentation] Free-Energy Analysis of Functional, Self-Organizing Systems in Solution (2009)
  • Author(s): 松林伸幸
  • Organizer: Meeting of JST-SSF/Vinnova Cooperative Programme on "Multidisciplinary BIO"
  • Place of Presentation: Stockholm University (Sweden)
• [Presentation] Free-Energy Analysis of Solvation in the Energetic Perspective (2009)
  • Author(s): 松林伸幸
  • Organizer: Mini-symposium on computation of interactions in biological systems
  • Place of Presentation: Nove Hrady (Czech)
• [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
• [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,CSJカレントレビュー (2012)
  • Author(s): 松林 伸幸
  • Publisher: 化学同人
• [Book] Development of a Quantum Chemical Method Combined with a Theory of Solutions -- Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations,Advances in Quantum Chemistry, vol 59 (2010)
  • Author(s): H. Takahashi, N. Matubayasi, and M. Nakano
• [Book] Advances in Quantum Chemistry (2010)
  • Author(s): H.Takahashi, N.Matubayasi, M.Nakano
  • Total Pages: 68
  • Publisher: Development of a Quantum Chemical Method Combined with a Theory of Solutions--Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations
• [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/
• [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
  • Filing Date: 2012-07-27
• [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
  • Filing Date: 2010-03-26
• [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
  • Filing Date: 2009-07-28
  • 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
  • Filing Date: 2009-06-26