林 重彦

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Name(Kanji/Kana/Abecedarium Latinum)
林 重彦/ハヤシ シゲヒコ/Hayashi, Shigehiko
Primary Affiliation(Org1/Job title)
Graduate School of Science/Professor
Faculty
Org1 Job title
理学部
Contact Address
Type Address(Japanese) Address(English)
Office 〒606-8502 京都市左京区北白川追分町 京都大学大学院理学研究科化学専攻 Department of Chemistry, Graduate School of Science, Kyoto University, Oiwake-cho, Kitashirakawa, Sakyo-ku, Kyoto 606-8502
Phone
Type Number
Office 075-753-4006
Academic Organizations You are Affiliated to in Japan
Organization name(Japanese) Organization name(English)
日本生物物理学会 Biophysical Society of Japan
分子科学会 Japan Society for Molecular Science
Academic Degree
Field(Japanese) Field(English) University(Japanese) University(English) Method
修士(理学) 京都大学
博士(理学) 京都大学
Work Experience
Period Organization(Japanese) Organization(English) Job title(Japanese) Job title(English)
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researchmap URL
https://researchmap.jp/7000008405
Published Papers
Author Author(Japanese) Author(English) Title Title(Japanese) Title(English) Bibliography Bibliography(Japanese) Bibliography(English) Publication date Refereed paper Language Publishing type Disclose
林 重彦 林 重彦 新しい酵素を理論的にデザインすることはできるのか-存在の耐えられない複雑さ- 新しい酵素を理論的にデザインすることはできるのか-存在の耐えられない複雑さ- 現代化学, 2 月号, 25-27 現代化学, 2 月号, 25-27 , 2 月号, 25-27 2015 Japanese Research paper(scientific journal) Disclose to all
Ayako Yukawa, Ryota Iino, Rikiya Watanabe, Shigehiko Hayashi, and Hiroyuki Noji Ayako Yukawa, Ryota Iino, Rikiya Watanabe, Shigehiko Hayashi, and Hiroyuki Noji Key chemical factors of arginine finger catalysis of F1-ATPase clarified by an unnatural amino acid mutation Key chemical factors of arginine finger catalysis of F1-ATPase clarified by an unnatural amino acid mutation Key chemical factors of arginine finger catalysis of F1-ATPase clarified by an unnatural amino acid mutation Biochemistry, 54, 472-480 Biochemistry, 54, 472-480 Biochemistry, 54, 472-480 2015 Refereed English Research paper(scientific journal) Disclose to all
Keiichi Inoue, Takashi Tsukamoto, Kazumi Shimono, Yuto Suzuki, Seiji Miyauchi, Shigehiko Hayashi, Hideki Kandori, and Yuki Sudo Keiichi Inoue, Takashi Tsukamoto, Kazumi Shimono, Yuto Suzuki, Seiji Miyauchi, Shigehiko Hayashi, Hideki Kandori, and Yuki Sudo Converting a light-driven proton pump into a light-gated proton channel Converting a light-driven proton pump into a light-gated proton channel Converting a light-driven proton pump into a light-gated proton channel Journal of the American Chemical Society, 137, 3291-3299 Journal of the American Chemical Society, 137, 3291-3299 Journal of the American Chemical Society, 137, 3291-3299 2015 Refereed English Research paper(scientific journal) Disclose to all
Shigehiko Hayashi 林 重彦 Shigehiko Hayashi Perspective: Silencing neurons with light Perspective: Silencing neurons with light Perspective: Silencing neurons with light Science, 344, 369-370 Science, 344, 369-370 Science, 344, 369-370 2014 English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Takahiro Kosugi, Shigehiko Hayashi, and Shinji Saito Masahiro Higashi, Takahiro Kosugi, Shigehiko Hayashi, and Shinji Saito Theoretical study on excited states of bacteriochlorophyll a in solutions with density functional assessment. Theoretical study on excited states of bacteriochlorophyll a in solutions with density functional assessment. Theoretical study on excited states of bacteriochlorophyll a in solutions with density functional assessment. Journal of Physical Chemistry B, 118, 10906-10918 Journal of Physical Chemistry B, 118, 10906-10918 Journal of Physical Chemistry B, 118, 10906-10918 2014 Refereed English Research paper(scientific journal) Disclose to all
林 重彦 林 重彦 分子シミュレーションによる F1-ATPase の構造機能解析 分子シミュレーションによる F1-ATPase の構造機能解析 蛋白質核酸酵素, 52, 329-334 蛋白質核酸酵素, 52, 329-334 , 52, 329-334 2007 Japanese Research paper(scientific journal) Disclose to all
林 重彦 林 重彦 ハイブリッドQM/MM分子シミュレーションによる生体内化学反応と機能の研究 ハイブリッドQM/MM分子シミュレーションによる生体内化学反応と機能の研究 生物物理, 46, 76-81 生物物理, 46, 76-81 , 46, 76-81 2006 Refereed Japanese Research paper(scientific journal) Disclose to all
林 重彦 林 重彦 バクテリオロドプシンのプロトンポンプ機構に関する理論的研究 バクテリオロドプシンのプロトンポンプ機構に関する理論的研究 Chemical Information and Computer Sciences The Chemical Society of Japan Bulletin, 22, 86-91 Chemical Information and Computer Sciences The Chemical Society of Japan Bulletin, 22, 86-91 , 22, 86-91 2004 Japanese Research paper(scientific journal) Disclose to all
林 重彦 林 重彦 光センサーsRII(pR)の構造と吸収波長制御機構 光センサーsRII(pR)の構造と吸収波長制御機構 生物物理, 42, 127-130 生物物理, 42, 127-130 , 42, 127-130 2002 Refereed Japanese Research paper(scientific journal) Disclose to all
M. Kamiya; H.E. Kato; R. Ishitani; O. Nureki; S. Hayashi M. Kamiya; H.E. Kato; R. Ishitani; O. Nureki; S. Hayashi Structural and spectral characterizations of C1C2 channelrhodopsin and its mutants by molecular simulations Structural and spectral characterizations of C1C2 channelrhodopsin and its mutants by molecular simulations Chemical Physics Letters, 556, 266-271 , 556, 266-271 Chemical Physics Letters, 556, 266-271 2013 Refereed English Disclose to all
I. Iwakura; Y. Kaneko; S. Hayashi; A. Yabushita; T. Kobayashi I. Iwakura; Y. Kaneko; S. Hayashi; A. Yabushita; T. Kobayashi The reaction mechanism of claisen rearrangement obtained by transition state spectroscopy and single direct-dynamics trajectory The reaction mechanism of claisen rearrangement obtained by transition state spectroscopy and single direct-dynamics trajectory Molecules, 18, 2, 1995-2004 , 18, 2, 1995-2004 Molecules, 18, 2, 1995-2004 2013 Refereed English Disclose to all
M.J. McGrath; I.-F.W. Kuo; S. Hayashi; S. Takada M.J. McGrath; I.-F.W. Kuo; S. Hayashi; S. Takada Adenosine triphosphate hydrolysis mechanism in kinesin studied by combined quantum-mechanical/molecular-mechanical metadynamics simulations Adenosine triphosphate hydrolysis mechanism in kinesin studied by combined quantum-mechanical/molecular-mechanical metadynamics simulations Journal of the American Chemical Society, 135, 24, 8908-8919 , 135, 24, 8908-8919 Journal of the American Chemical Society, 135, 24, 8908-8919 2013 Refereed English Disclose to all
Y. Sudo; A. Okazaki; H. Ono; J. Yagasaki; S. Sugo; M. Kamiya; L. Reissig; K. Inoue; K. Ihara; H. Kandori; S. Takagi; S. Hayashi Y. Sudo; A. Okazaki; H. Ono; J. Yagasaki; S. Sugo; M. Kamiya; L. Reissig; K. Inoue; K. Ihara; H. Kandori; S. Takagi; S. Hayashi A blue-shifted light-driven proton pump for neural silencing A blue-shifted light-driven proton pump for neural silencing Journal of Biological Chemistry, 288, 28, 20624-20632 , 288, 28, 20624-20632 Journal of Biological Chemistry, 288, 28, 20624-20632 2013 Refereed English Disclose to all
N. Kishi; M. Akita; M. Kamiya; S. Hayashi; H.-F. Hsu; M. Yoshizawa N. Kishi; M. Akita; M. Kamiya; S. Hayashi; H.-F. Hsu; M. Yoshizawa Facile catch and release of fullerenes using a photoresponsive molecular tube Facile catch and release of fullerenes using a photoresponsive molecular tube Journal of the American Chemical Society, 135, 35, 12976-12979 , 135, 35, 12976-12979 Journal of the American Chemical Society, 135, 35, 12976-12979 2013 Refereed English Disclose to all
T. Kosugi; S. Hayashi T. Kosugi; S. Hayashi QM/MM reweighting free energy SCF for geometry optimization on extensive free energy surface of enzymatic reaction QM/MM reweighting free energy SCF for geometry optimization on extensive free energy surface of enzymatic reaction Journal of Chemical Theory and Computation, 8, 1, 322-334 , 8, 1, 322-334 Journal of Chemical Theory and Computation, 8, 1, 322-334 2012 Refereed English Disclose to all
T. Kosugi; S. Hayashi T. Kosugi; S. Hayashi Crucial role of protein flexibility in formation of a stable reaction transition state in an α-amylase catalysis Crucial role of protein flexibility in formation of a stable reaction transition state in an α-amylase catalysis Journal of the American Chemical Society, 134, 16, 7045-7055 , 134, 16, 7045-7055 Journal of the American Chemical Society, 134, 16, 7045-7055 2012 Refereed English Disclose to all
S. Hayashi; H. Ueno; A.R. Shaikh; M. Umemura; M. Kamiya; Y. Ito; M. Ikeguchi; Y. Komoriya; R. Iino; H. Noji S. Hayashi; H. Ueno; A.R. Shaikh; M. Umemura; M. Kamiya; Y. Ito; M. Ikeguchi; Y. Komoriya; R. Iino; H. Noji Molecular mechanism of ATP hydrolysis in F<sub>1</sub>-ATPase revealed by molecular simulations and single-molecule observations Molecular mechanism of ATP hydrolysis in F<sub>1</sub>-ATPase revealed by molecular simulations and single-molecule observations Journal of the American Chemical Society, 134, 20, 8447-8454 , 134, 20, 8447-8454 Journal of the American Chemical Society, 134, 20, 8447-8454 2012 Refereed English Disclose to all
H.E. Kato; F. Zhang; O. Yizhar; C. Ramakrishnan; T. Nishizawa; K. Hirata; J. Ito; Y. Aita; T. Tsukazaki; S. Hayashi; P. Hegemann; A.D. Maturana; R. Ishitani; K. Deisseroth; O. Nureki H.E. Kato; F. Zhang; O. Yizhar; C. Ramakrishnan; T. Nishizawa; K. Hirata; J. Ito; Y. Aita; T. Tsukazaki; S. Hayashi; P. Hegemann; A.D. Maturana; R. Ishitani; K. Deisseroth; O. Nureki Crystal structure of the channelrhodopsin light-gated cation channel Crystal structure of the channelrhodopsin light-gated cation channel Nature, 482, 7385, 369-374 , 482, 7385, 369-374 Nature, 482, 7385, 369-374 2012 Refereed English Disclose to all
T. Kosugi; S. Hayashi T. Kosugi; S. Hayashi Local entropy difference upon a substrate binding of a psychrophilic α-amylase and a mesophilic homologue Local entropy difference upon a substrate binding of a psychrophilic α-amylase and a mesophilic homologue Chemical Physics Letters, 501, 4-6, 517-522 , 501, 4-6, 517-522 Chemical Physics Letters, 501, 4-6, 517-522 2011 Refereed English Disclose to all
K. Ando; S. Hayashi; S. Kato K. Ando; S. Hayashi; S. Kato A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: An ab initio potential energy surface and its empirical valence bond model A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: An ab initio potential energy surface and its empirical valence bond model Physical Chemistry Chemical Physics, 13, 23, 11118-11127 , 13, 23, 11118-11127 Physical Chemistry Chemical Physics, 13, 23, 11118-11127 2011 Refereed English Disclose to all
Y. Nishihara; S. Kato; S. Hayashi Y. Nishihara; S. Kato; S. Hayashi Protein collective motions coupled to ligand migration in myoglobin Protein collective motions coupled to ligand migration in myoglobin Biophysical Journal, 98, 8, 1649-1657 , 98, 8, 1649-1657 Biophysical Journal, 98, 8, 1649-1657 2010 Refereed English Disclose to all
S. Hayashi; E. Tajkhorshid; K. Schulten S. Hayashi; E. Tajkhorshid; K. Schulten Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation Biophysical Journal, 96, 2, 403-416 , 96, 2, 403-416 Biophysical Journal, 96, 2, 403-416 2009 Refereed English Disclose to all
Y. Kaneko; S. Hayashi; I. Ohmine Y. Kaneko; S. Hayashi; I. Ohmine Proton-transfer reactions in reaction center of photosynthetic bacteria Rhodobacter sphaeroides Proton-transfer reactions in reaction center of photosynthetic bacteria Rhodobacter sphaeroides Journal of Physical Chemistry B, 113, 26, 8993-9003 , 113, 26, 8993-9003 Journal of Physical Chemistry B, 113, 26, 8993-9003 2009 Refereed English Disclose to all
K.J. Fujimoto; S. Hayashi K.J. Fujimoto; S. Hayashi Electronic coulombic coupling of excitation-energy transfer in xanthorhodopsin Electronic coulombic coupling of excitation-energy transfer in xanthorhodopsin Journal of the American Chemical Society, 131, 40, 14152-14153 , 131, 40, 14152-14153 Journal of the American Chemical Society, 131, 40, 14152-14153 2009 Refereed English Disclose to all
W.C. Lung; S. Hayashi; M. Lundberg; T. Nakatsu; H. Kato; K. Morokuma W.C. Lung; S. Hayashi; M. Lundberg; T. Nakatsu; H. Kato; K. Morokuma Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection Journal of the American Chemical Society, 130, 39, 12880-+ , 130, 39, 12880-+ Journal of the American Chemical Society, 130, 39, 12880-+ 2008/10/01 Refereed English Disclose to all
Y. Nishihara; S. Hayashi; S. Kato Y. Nishihara; S. Hayashi; S. Kato A search for ligand diffusion pathway in myoglobin using a metadynamics simulation A search for ligand diffusion pathway in myoglobin using a metadynamics simulation Chemical Physics Letters, 464, 4-6, 220-225 , 464, 4-6, 220-225 Chemical Physics Letters, 464, 4-6, 220-225 2008 Refereed English Disclose to all
M. Higashi; S. Hayashi; S. Kato M. Higashi; S. Hayashi; S. Kato Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase Chemical Physics Letters, 437, 4-6, 293-297 , 437, 4-6, 293-297 Chemical Physics Letters, 437, 4-6, 293-297 2007 Refereed English Disclose to all
M. Higashi; S. Hayashi; S. Kato M. Higashi; S. Hayashi; S. Kato Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution Journal of Chemical Physics, 126, 14 , 126, 14 Journal of Chemical Physics, 126, 14 2007 Refereed English Disclose to all
K. Fujimoto; S. Hayashi; J.-Y. Hasegawa; H. Nakatsuji K. Fujimoto; S. Hayashi; J.-Y. Hasegawa; H. Nakatsuji Theoretical studies on the color-tuning mechanism in retinal proteins Theoretical studies on the color-tuning mechanism in retinal proteins Journal of Chemical Theory and Computation, 3, 2, 605-618 , 3, 2, 605-618 Journal of Chemical Theory and Computation, 3, 2, 605-618 2007 Refereed English Disclose to all
S. Hayashi S. Hayashi Analysis of structure and function of F1-ATPase molecular motor protein studied by molecular simulations Analysis of structure and function of F1-ATPase molecular motor protein studied by molecular simulations Tanpakushitsu kakusan koso. Protein, nucleic acid, enzyme, 52, 4, 329-334 , 52, 4, 329-334 Tanpakushitsu kakusan koso. Protein, nucleic acid, enzyme, 52, 4, 329-334 2007 Refereed English Disclose to all
K. Fujimoto; J.-y. Hasegawa; S. Hayashi; H. Nakatsuji K. Fujimoto; J.-y. Hasegawa; S. Hayashi; H. Nakatsuji On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study Chemical Physics Letters, 432, 1-3, 252-256 , 432, 1-3, 252-256 Chemical Physics Letters, 432, 1-3, 252-256 2006 Refereed English Disclose to all
K. Inaba; Y.-H. Takahashi; K. Ito; S. Hayashi K. Inaba; Y.-H. Takahashi; K. Ito; S. Hayashi Critical role of a thiolate-quinone charge transfer complex and its adduct form in de novo disulfide bond generation by DsbB Critical role of a thiolate-quinone charge transfer complex and its adduct form in de novo disulfide bond generation by DsbB Proceedings of the National Academy of Sciences of the United States of America, 103, 2, 287-292 , 103, 2, 287-292 Proceedings of the National Academy of Sciences of the United States of America, 103, 2, 287-292 2006 Refereed English Disclose to all
K. Fujimoto; J.-Y. Hasegawa; S. Hayashi; S. Kato; H. Nakatsuji K. Fujimoto; J.-Y. Hasegawa; S. Hayashi; S. Kato; H. Nakatsuji Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study Chemical Physics Letters, 414, 1-3, 239-242 , 414, 1-3, 239-242 Chemical Physics Letters, 414, 1-3, 239-242 2005 Refereed English Disclose to all
M. Dittrich; S. Hayashi; K. Schulten M. Dittrich; S. Hayashi; K. Schulten ATP hydrolysis in the β<sub>TP</sub> and β<sub>DP</sub> catalytic sites of F<sub>1</sub>-ATPase ATP hydrolysis in the β<sub>TP</sub> and β<sub>DP</sub> catalytic sites of F<sub>1</sub>-ATPase Biophysical Journal, 87, 5, 2954-2967 , 87, 5, 2954-2967 Biophysical Journal, 87, 5, 2954-2967 2004 Refereed English Disclose to all
S. Hayashi; E. Tajkhorshid; H. Kandori; K. Schulten S. Hayashi; E. Tajkhorshid; H. Kandori; K. Schulten Role of hydrogen-bond network in energy storage of bacteriorhodopsin\\'s light-driven proton pump revealed by ab initio normal-mode analysis Role of hydrogen-bond network in energy storage of bacteriorhodopsin\\'s light-driven proton pump revealed by ab initio normal-mode analysis Journal of the American Chemical Society, 126, 34, 10516-10517 , 126, 34, 10516-10517 Journal of the American Chemical Society, 126, 34, 10516-10517 2004 Refereed English Disclose to all
N. Mitome; T. Suzuki; S. Hayashi; M. Yoshida N. Mitome; T. Suzuki; S. Hayashi; M. Yoshida Thermophilic ATP synthase has a decamer c-ring: Indication of noninteger 10:3 H<sup>+</sup>/ATP ratio and permissive elastic coupling Thermophilic ATP synthase has a decamer c-ring: Indication of noninteger 10:3 H<sup>+</sup>/ATP ratio and permissive elastic coupling Proceedings of the National Academy of Sciences of the United States of America, 101, 33, 12159-12164 , 101, 33, 12159-12164 Proceedings of the National Academy of Sciences of the United States of America, 101, 33, 12159-12164 2004 Refereed English Disclose to all
S. Hayashi; E. Tajkhorshid; K. Schulten S. Hayashi; E. Tajkhorshid; K. Schulten Molecular dynamics simulation of bacteriorhodopsin\\'s photoisomerization using ab initio forces for the excited chromophore Molecular dynamics simulation of bacteriorhodopsin\\'s photoisomerization using ab initio forces for the excited chromophore Biophysical Journal, 85, 3, 1440-1449 , 85, 3, 1440-1449 Biophysical Journal, 85, 3, 1440-1449 2003 Refereed English Disclose to all
M. Dittrich; S. Hayashi; K. Schulten M. Dittrich; S. Hayashi; K. Schulten On the mechanism of ATP hydrolysis in F<sub>1</sub>-ATPase On the mechanism of ATP hydrolysis in F<sub>1</sub>-ATPase Biophysical Journal, 85, 4, 2253-2266 , 85, 4, 2253-2266 Biophysical Journal, 85, 4, 2253-2266 2003 Refereed English Disclose to all
S. Hayashi; E. Tajkhorshid; K. Schulten S. Hayashi; E. Tajkhorshid; K. Schulten Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle Biophysical Journal, 83, 3, 1281-1297 , 83, 3, 1281-1297 Biophysical Journal, 83, 3, 1281-1297 2002 Refereed English Disclose to all
J. Saam; E. Tajkhorshid; S. Hayashi; K. Schulten J. Saam; E. Tajkhorshid; S. Hayashi; K. Schulten Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin Biophysical Journal, 83, 6, 3097-3112 , 83, 6, 3097-3112 Biophysical Journal, 83, 6, 3097-3112 2002 Refereed English Disclose to all
S. Hayashi; E. Tajkhorshid; E. Pebay-Peyroula; A. Royant; E.M. Landau; J. Navarro; K. Schulten S. Hayashi; E. Tajkhorshid; E. Pebay-Peyroula; A. Royant; E.M. Landau; J. Navarro; K. Schulten Structural determinants of spectral tuning in retinal proteins - Bacteriorhodopsin vs sensory rhodopsin II Structural determinants of spectral tuning in retinal proteins - Bacteriorhodopsin vs sensory rhodopsin II Journal of Physical Chemistry B, 105, 41, 10124-10131 , 105, 41, 10124-10131 Journal of Physical Chemistry B, 105, 41, 10124-10131 2001 Refereed English Disclose to all
S. Hayashi; I. Ohmine S. Hayashi; I. Ohmine Proton transfer in bacteriorhodopsin: Structure, excitation, IR spectra, and potential energy surface analyses by an ab initio QM/MM method Proton transfer in bacteriorhodopsin: Structure, excitation, IR spectra, and potential energy surface analyses by an ab initio QM/MM method Journal of Physical Chemistry B, 104, 45, 10678-10691 , 104, 45, 10678-10691 Journal of Physical Chemistry B, 104, 45, 10678-10691 2000 Refereed English Disclose to all
S. Hayashi; S. Kato S. Hayashi; S. Kato Theoretical study of intramolecular long-range electron transfer reactions between porphyrin and benzoquinone: Ab Initio calculations of electronic coupling element Theoretical study of intramolecular long-range electron transfer reactions between porphyrin and benzoquinone: Ab Initio calculations of electronic coupling element Journal of Physical Chemistry A, 102, 17, 2878-2887 , 102, 17, 2878-2887 Journal of Physical Chemistry A, 102, 17, 2878-2887 1998 Refereed English Disclose to all
S. Hayashi; S. Kato S. Hayashi; S. Kato Solvent effect on intramolecular long-range electron-transfer reactions between porphyrin and benzoquinone in an acetonitrile solution: Molecular dynamics calculations of reaction rate constants Solvent effect on intramolecular long-range electron-transfer reactions between porphyrin and benzoquinone in an acetonitrile solution: Molecular dynamics calculations of reaction rate constants Journal of Physical Chemistry A, 102, 19, 3333-3342 , 102, 19, 3333-3342 Journal of Physical Chemistry A, 102, 19, 3333-3342 1998 Refereed English Disclose to all
S. Hayashi; K. Ando; S. Kato S. Hayashi; K. Ando; S. Kato Reaction dynamics of charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in a methanol solution: Theoretical analyses Reaction dynamics of charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in a methanol solution: Theoretical analyses Journal of Physical Chemistry, 99, 3, 955-964 , 99, 3, 955-964 Journal of Physical Chemistry, 99, 3, 955-964 1995 Refereed English Disclose to all
K. Yamaguchi; S. Hayashi; M. Okumura; M. Nakano; W. Mori K. Yamaguchi; S. Hayashi; M. Okumura; M. Nakano; W. Mori Electronic structures of poly-cations and -anions of C<sub>60</sub>. Possible mechanisms of organic ferromagnetism Electronic structures of poly-cations and -anions of C<sub>60</sub>. Possible mechanisms of organic ferromagnetism Chemical Physics Letters, 226, 3-4, 372-380 , 226, 3-4, 372-380 Chemical Physics Letters, 226, 3-4, 372-380 1994 Refereed English Disclose to all

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Conference Activities & Talks
Title Title(Japanese) Title(English) Conference Conference(Japanese) Conference(English) Promotor Promotor(Japanese) Promotor(English) Date Language Assortment Disclose
柔らかいタンパク質の分子機能の理解と設計[Invited] 柔らかいタンパク質の分子機能の理解と設計 [Invited] 理研シンポジウム「生体分子系量子化学計算の最前線」 理研シンポジウム「生体分子系量子化学計算の最前線」 2015/01/23 Japanese Oral presentation(invited, special) Disclose to all
柔らかいタンパク質の分子機能の理解と設計[Invited] 柔らかいタンパク質の分子機能の理解と設計 [Invited] CBI 学会 2014 年大会 CBI 学会 2014 年大会 2014/10/30 Japanese Oral presentation(keynote) Disclose to all
柔らかいタンパク質の分子機能の理解と設計[Invited] 柔らかいタンパク質の分子機能の理解と設計 [Invited] 第 14 回蛋白質科学会年会 公募型シンポジウム 第 14 回蛋白質科学会年会 公募型シンポジウム 2014/06/27 Japanese Oral presentation(invited, special) Disclose to all
酵素機能における分子の柔らかさの役割[Invited] 酵素機能における分子の柔らかさの役割 [Invited] 日本化学会第 94 春季年会中長期テーマシンポジウム「複雑系のための分子科学-理論研究によるアプローチ」 日本化学会第 94 春季年会中長期テーマシンポジウム「複雑系のための分子科学-理論研究によるアプローチ」 2014/03/27 Japanese Oral presentation(invited, special) Disclose to all
柔らかいタンパク質の分子機能の理解と設計[Invited] 柔らかいタンパク質の分子機能の理解と設計 [Invited] 自然科学研究機構計算科学研究センタースーパーコンピュータワークショップ 2014「計算化学の最新の成果と展開」 自然科学研究機構計算科学研究センタースーパーコンピュータワークショップ 2014「計算化学の最新の成果と展開」 2014/01/21 Japanese Oral presentation(invited, special) Disclose to all
ハイブリッド分子シミュレーションでみる酵素の活性と柔らかさ[Invited] ハイブリッド分子シミュレーションでみる酵素の活性と柔らかさ [Invited] 第 13 回蛋白質科学会ワークショップ「計算科学と計測科学の協働により明らかになる蛋白質構造ダイナミクスの現状と将来」 第 13 回蛋白質科学会ワークショップ「計算科学と計測科学の協働により明らかになる蛋白質構造ダイナミクスの現状と将来」 2013/06/14 Japanese Oral presentation(invited, special) Disclose to all
光受容タンパク質の光吸収・蛍光スペクトルの理論的理解と合理的制御[Invited] 光受容タンパク質の光吸収・蛍光スペクトルの理論的理解と合理的制御 [Invited] 蛋白研セミナー「光の、光による、光のための蛋白質科学」 蛋白研セミナー「光の、光による、光のための蛋白質科学」 2013/04/20 Japanese Oral presentation(invited, special) Disclose to all
分子シミュレーションから見た酵素の活性と柔らかさ[Invited] 分子シミュレーションから見た酵素の活性と柔らかさ [Invited] 日本化学会第 93 春季年会中長期テーマシンポジウム「複雑系のための分子科学-複雑さと柔らかさ」 日本化学会第 93 春季年会中長期テーマシンポジウム「複雑系のための分子科学-複雑さと柔らかさ」 2013/03/22 Japanese Oral presentation(invited, special) Disclose to all
ハイブリッド分子シミュレーションで探る酵素活性の分子機構[Invited] ハイブリッド分子シミュレーションで探る酵素活性の分子機構 [Invited] WIAS Top Runners’ Lecture Collection of Science「物質化学におけるコンピュータ利用の最前線」 WIAS Top Runners’ Lecture Collection of Science「物質化学におけるコンピュータ利用の最前線」 2012/11/20 Japanese Oral presentation(invited, special) Disclose to all
「理論解析」の観点から[Invited] 「理論解析」の観点から [Invited] 第4回光操作研究会「動作原理の理解と行動制御への応用」 第4回光操作研究会「動作原理の理解と行動制御への応用」 2012/09/27 Japanese Oral presentation(invited, special) Disclose to all
ハイブリッド分子シミュレーションで探る酵素活性の分子機構[Invited] ハイブリッド分子シミュレーションで探る酵素活性の分子機構 [Invited] 新学術領域研究「水を主役としたATPエネルギー変換」第4回全体会議 新学術領域研究「水を主役としたATPエネルギー変換」第4回全体会議 2012/03/08 Japanese Oral presentation(invited, special) Disclose to all
ハイブリッド分子シミュレーションで探る酵素活性の分子機構[Invited] ハイブリッド分子シミュレーションで探る酵素活性の分子機構 [Invited] 大阪大学蛋白質研究所セミナー「蛋白質科学の未来を語る – 実験・理論研究者の対話 –」 大阪大学蛋白質研究所セミナー「蛋白質科学の未来を語る – 実験・理論研究者の対話 –」 2011/11/21 Japanese Oral presentation(invited, special) Disclose to all
ハイブリッド分子シミュレーションで探る酵素反応の分子機構[Invited] ハイブリッド分子シミュレーションで探る酵素反応の分子機構 [Invited] 分子研研究会「実験と理論による高次分子システムの機能発現の分子論的理解」 分子研研究会「実験と理論による高次分子システムの機能発現の分子論的理解」 2011/11/02 Japanese Oral presentation(invited, special) Disclose to all
Molecular mechanism of enzymatic reaction studied by the QM/MM reweighting free energy SCF method[Invited] Molecular mechanism of enzymatic reaction studied by the QM/MM reweighting free energy SCF method [Invited] 日本生物物理学会・シンポジウム “New approaches for probing biomolecular fluctuations” 日本生物物理学会・シンポジウム “New approaches for probing biomolecular fluctuations” 2011/09/17 English Oral presentation(invited, special) Disclose to all
Crucial Role of Protein Flexibility in Enzymatic Catalysis[Invited] Crucial Role of Protein Flexibility in Enzymatic Catalysis [Invited] 4th Indo-German Meeting on Modeling of Chemical and Biological Reactivity (MCBR4) 4th Indo-German Meeting on Modeling of Chemical and Biological Reactivity (MCBR4) 2015/02/25 English Oral presentation(invited, special) Disclose to all
Understanding and Designing Color Variants of Retinal Biding Proteins by Molecular Simulations[Invited] Understanding and Designing Color Variants of Retinal Biding Proteins by Molecular Simulations [Invited] 16th International Conference on Retinal Proteins 16th International Conference on Retinal Proteins 2014/10/05 English Oral presentation(invited, special) Disclose to all
Catalytic mechanism of NTPases[Invited] Catalytic mechanism of NTPases [Invited] Tokyo ATPase Workshop Tokyo ATPase Workshop 2014/06/02 English Oral presentation(invited, special) Disclose to all
Crucial Role of Protein Flexibility in Enzymatic Catalysis[Invited] Crucial Role of Protein Flexibility in Enzymatic Catalysis [Invited] Les Houches-TSRC Workshop on Protein Dynamics Les Houches-TSRC Workshop on Protein Dynamics 2014/05/20 English Oral presentation(invited, special) Disclose to all
Crucial Role of Protein Flexibility in Enzymatic Catalysis[Invited] Crucial Role of Protein Flexibility in Enzymatic Catalysis [Invited] CRC-EC Joint Symposium on Chemical Theory on Complex System CRC-EC Joint Symposium on Chemical Theory on Complex System 2014/01/09 English Oral presentation(invited, special) Disclose to all
Crucial Role of Protein Flexibility in Enzymatic Catalysis[Invited] Crucial Role of Protein Flexibility in Enzymatic Catalysis [Invited] 3rd International Conference on Molecular Simulations 3rd International Conference on Molecular Simulations 2013/11/20 English Oral presentation(invited, special) Disclose to all
Crucial Role of Protein Flexibility in Enzymatic Catalysis[Invited] Crucial Role of Protein Flexibility in Enzymatic Catalysis [Invited] Telluride Science Research Center Workshop on “Protein Dynamics” Telluride Science Research Center Workshop on “Protein Dynamics” 2013/08/08 English Oral presentation(invited, special) Disclose to all
Hybrid molecular simulations toward understanding enzymatic catalysis[Invited] Hybrid molecular simulations toward understanding enzymatic catalysis [Invited] Fifth Korea-Japan Seminars on Biomolecular Sciences: Experiments and Simulations Fifth Korea-Japan Seminars on Biomolecular Sciences: Experiments and Simulations 2013/02/26 English Oral presentation(invited, special) Disclose to all
Hybrid molecular simulations toward understanding enzymatic catalysis[Invited] Hybrid molecular simulations toward understanding enzymatic catalysis [Invited] Fifth International Symposium on Atomically Controlled Fabrication Technology Fifth International Symposium on Atomically Controlled Fabrication Technology 2012/10/24 English Oral presentation(invited, special) Disclose to all
Hybrid molecular simulations toward understanding enzymatic catalysis[Invited] Hybrid molecular simulations toward understanding enzymatic catalysis [Invited] 14th International Congress of Quantum Chemistry 14th International Congress of Quantum Chemistry 2012/06/30 English Oral presentation(invited, special) Disclose to all
Chemicalreaction dynamics in solution and enzymes: A tribute to the memory of Professor Shigeki Kato[Invited] Chemicalreaction dynamics in solution and enzymes: A tribute to the memory of Professor Shigeki Kato [Invited] The fifth Asian Pacific Conference of Theoretical and Computational Chemistry The fifth Asian Pacific Conference of Theoretical and Computational Chemistry 2011/12/13 English Oral presentation(invited, special) Disclose to all
Hybrid molecular simulations toward understanding enzymatic catalysis[Invited] Hybrid molecular simulations toward understanding enzymatic catalysis [Invited] IMS Symposium on "Recent Developments of Spectroscopy and Spatial and Temporal Hierarchical Structures in Molecular Science" IMS Symposium on "Recent Developments of Spectroscopy and Spatial and Temporal Hierarchical Structures in Molecular Science" 2011/10/18 English Oral presentation(invited, special) Disclose to all
Hybrid molecular simulations toward understanding enzymatic catalysis[Invited] Hybrid molecular simulations toward understanding enzymatic catalysis [Invited] Fukui International Symposium for Theoretical Chemistry Fukui International Symposium for Theoretical Chemistry 2011/09/01 English Oral presentation(invited, special) Disclose to all
Hybrid molecular simulations toward understanding enzymatic catalysis[Invited] Hybrid molecular simulations toward understanding enzymatic catalysis [Invited] Telluride Science Research Center Workshop on “Rise of the Machines: Integration of experiment, simulation and theory for a mechanistic understanding of biomolecular machines” Telluride Science Research Center Workshop on “Rise of the Machines: Integration of experiment, simulation and theory for a mechanistic understanding of biomolecular machines” 2011/08/09 English Oral presentation(invited, special) Disclose to all
Molecular mechanisms of enzymatic catalysis in F1-ATPase and alpha-amylase[Invited] Molecular mechanisms of enzymatic catalysis in F1-ATPase and alpha-amylase [Invited] WATOC 2011 WATOC 2011 2011/07/21 English Oral presentation(invited, special) Disclose to all
Hybrid molecular simulations toward understanding enzymatic catalysis[Invited] Hybrid molecular simulations toward understanding enzymatic catalysis [Invited] 2011 Korea Japan Symposium on Molecular Science “New Visions for Spectroscopy & Computation: Temporal and Spatial Adventures of Molecular Science” 2011 Korea Japan Symposium on Molecular Science “New Visions for Spectroscopy & Computation: Temporal and Spatial Adventures of Molecular Science” 2011/07/06 English Oral presentation(invited, special) Disclose to all

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Title language:
Books etc
Author Author(Japanese) Author(English) Title Title(Japanese) Title(English) Publisher Publisher(Japanese) Publisher(English) Publication date Language Type Disclose
林 重彦 林 重彦 化学フロンティア 23 1 分子ナノバイオ計測-分子から生命システムを探る革新的技術 化学フロンティア 23 1 分子ナノバイオ計測-分子から生命システムを探る革新的技術 化学同人 化学同人 2014 Contributor Disclose to all
林 重彦 林 重彦 DOJIN BIOSCIENCE 10 揺らぎ・ダイナミクスと生体機能-物理化学的視点からみた生体分子 DOJIN BIOSCIENCE 10 揺らぎ・ダイナミクスと生体機能-物理化学的視点からみた生体分子 化学同人 化学同人 2013 Contributor Disclose to all
林 重彦 林 重彦 CSJ カレントレヴュー・巨大分子系の計算化学 CSJ カレントレヴュー・巨大分子系の計算化学 化学同人 化学同人 2012 Contributor Disclose to all
林 重彦 林 重彦 岩波講座計算科学第 4 巻 計算と生命 岩波講座計算科学第 4 巻 計算と生命 岩波書店 岩波書店 2012 Contributor Disclose to all
林 重彦 林 重彦 タンパク質科学‐構造・物性・機能‐ タンパク質科学‐構造・物性・機能‐ 化学同人 化学同人 2005 Contributor Disclose to all
Shigehiko Hayashi Shigehiko Hayashi Quantum Effects in Biology Quantum Effects in Biology Cambridge University Press Cambridge University Press 2014 Contributor Disclose to all
Title language:
External funds: competitive funds and Grants-in-Aid for Scientific Research (Kakenhi)
Type Position Title(Japanese) Title(English) Period
特定領域研究 分子シミュレーションによるF_1_分子モーターの化学—力学エネルギー変換機構の解 2006-2010
特定領域研究 Representative 分子シミュレーションによるF_1_分子モーターの化学―力学エネルギー変換機構の解 2006/2010-
基盤研究(B) タンパク質機能発現の分子機構に関する理論的研究 2010-2012
基盤研究(B) Representative タンパク質機能発現の分子機構に関する理論的研究 2013-2015
新学術領域研究(研究領域提案型) Representative 柔らかな分子がもたらす触媒活性の理解と設計 2013-2017
新学術領域研究(研究領域提案型) Representative 柔らかな分子がもたらす触媒活性の理解と設計 (平成26年度分) 2014/04/01-2015/03/31
基盤研究(B) Representative タンパク質機能発現の分子機構に関する理論的研究 (平成26年度分) 2014/04/01-2015/03/31
Teaching subject(s)
Name(Japanese) Name(English) Term Department Period
理論化学演習ⅡA 前期 理学研究科 2011/04-2012/03
理論化学演習ⅡB 後期 理学研究科 2011/04-2012/03
理論化学演習ⅡC 前期 理学研究科 2011/04-2012/03
理論化学演習ⅡD 後期 理学研究科 2011/04-2012/03
量子化学概論 後期 理学研究科 2011/04-2012/03
化学量子論 後期 理学研究科 2011/04-2012/03
理論化学ゼミナールⅡA 前期 理学研究科 2011/04-2012/03
理論化学ゼミナールⅡB 後期 理学研究科 2011/04-2012/03
理論化学ゼミナールⅡC 前期 理学研究科 2011/04-2012/03
理論化学ゼミナールⅡD 後期 理学研究科 2011/04-2012/03
化学課題研究4 通年 理学部 2011/04-2012/03
量子化学I 前期 理学部 2011/04-2012/03
量子化学II 後期 理学部 2011/04-2012/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2012/04-2013/03
量子化学II Quantum Chemistry II 後期 理学部 2012/04-2013/03
量子化学I Quantum Chemistry I 前期 理学部 2012/04-2013/03
量子化学I Quantum Chemistry I 後期 理学部 2012/04-2013/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2013/04-2014/03
量子化学I Quantum Chemistry I 後期 理学部 2013/04-2014/03
量子化学II Quantum Chemistry II 前期 理学部 2013/04-2014/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2014/04-2015/03
量子化学I Quantum Chemistry I 後期 理学部 2014/04-2015/03
量子化学II Quantum Chemistry II 前期 理学部 2014/04-2015/03
量子化学概論 Principles of Quantum Chemistry 前期 理学研究科 2014/04-2015/03
理論化学ゼミナールIIA Seminar on Theoretical Chemistry IIA 前期 理学研究科 2014/04-2015/03
理論化学ゼミナールIIB Seminar on Theoretical Chemistry IIB 後期 理学研究科 2014/04-2015/03
理論化学ゼミナールIIC Seminar on Theoretical Chemistry IIC 前期 理学研究科 2014/04-2015/03
理論化学ゼミナールIID Seminar on Theoretical Chemistry IID 後期 理学研究科 2014/04-2015/03
理論化学演習IIA Advanced Theoretical Chemistry IIA 前期 理学研究科 2014/04-2015/03
理論化学演習IIB Advanced Theoretical Chemistry IIB 後期 理学研究科 2014/04-2015/03
理論化学演習IIC Advanced Theoretical Chemistry IIC 前期 理学研究科 2014/04-2015/03
理論化学演習IID Advanced Theoretical Chemistry IID 後期 理学研究科 2014/04-2015/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2015/04-2016/03
化学量子論 Advanced Quantum Chemistry 後期 理学研究科 2015/04-2016/03
理論化学ゼミナールIIA Seminar on Theoretical Chemistry IIA 前期 理学研究科 2015/04-2016/03
理論化学ゼミナールIIB Seminar on Theoretical Chemistry IIB 後期 理学研究科 2015/04-2016/03
理論化学ゼミナールIIC Seminar on Theoretical Chemistry IIC 前期 理学研究科 2015/04-2016/03
理論化学ゼミナールIID Seminar on Theoretical Chemistry IID 後期 理学研究科 2015/04-2016/03
理論化学演習IIA Advanced Theoretical Chemistry IIA 前期 理学研究科 2015/04-2016/03
理論化学演習IIB Advanced Theoretical Chemistry IIB 後期 理学研究科 2015/04-2016/03
理論化学演習IIC Advanced Theoretical Chemistry IIC 前期 理学研究科 2015/04-2016/03
理論化学演習IID Advanced Theoretical Chemistry IID 後期 理学研究科 2015/04-2016/03
量子化学II Quantum Chemistry II 前期 理学部 2015/04-2016/03
量子化学I Quantum Chemistry I 後期 理学部 2015/04-2016/03
量子化学概論 Principles of Quantum Chemistry 前期 理学研究科 2015/04-2016/03

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School management (title, position)
Title Period
情報教育専門委員会 委員 2008/04/01-2011/03/31
大学評価委員会点検・評価実行委員会 委員 2015/05/01-
Faculty management (title, position)
Title Period
化学専攻副専攻長 2015/04/01-2016/03/31
福井謙一記念研究センター運営委員会委員 2015/04/01-2017/03/31
理学研究科将来計画委員会委員 2014/04/01-2015/03/31
理学研究科大学院教育教務委員会委員 2014/04/01-2015/03/31
理学研究科情報・広報委員会委員 2014/04/01-2015/03/31
理学研究科情報セキュリティ委員会委員 2014/04/01-2015/03/31
理学研究科情報・広報委員会 ネットワーク・Web管理小委員会委員 2014/04/01-2015/03/31
理学研究科会議構成員 2014/04/01-2015/03/31
理学研究科将来計画委員会委員 2015/04/01-2016/03/31
理学研究科自己点検・評価委員会委員 2015/04/01-2016/03/31
理学研究科大学院教育常任委員会委員 2015/04/01-2016/03/31
理学研究科大学院教育教務委員会委員 2015/04/01-2016/03/31
理学研究科情報・広報委員会委員 2015/04/01-2016/03/31
理学研究科情報セキュリティ委員会委員 2015/04/01-2016/03/31
理学研究科情報・広報委員会 ネットワーク・Web管理小委員会委員 2015/04/01-2016/03/31
理学研究科社会交流室運営委員会委員 2015/04/01-2016/03/31
理学研究科会議構成員 2015/04/01-2016/03/31

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