Updated on 2024/04/17

写真a

 
MORITSUGU KEI
 
Organization
Graduate School of Science Department of Biological Chemistry Professor
School of Science Department of Biological Chemistry
Title
Professor
Affiliation
Institute of Science
Contact information
メールアドレス
Affiliation campus
Nakamozu Campus

Position

  • Graduate School of Science Department of Biological Chemistry 

    Professor  2022.04 - Now

  • School of Science Department of Biological Chemistry 

    Professor  2022.04 - Now

Degree

  • 理学博士 ( Kyoto University )

Research Areas

  • Life Science / Biophysics

Research Interests

  • bioinformatics

  • structural modeling

  • computer science

  • chemical biology

  • biomolecules

  • molecular simulation

Professional Memberships

  • Biophysical Society

    2009.10 - Now   Overseas

  • Biosupercomputing Research Community

    2009.07 - Now   Domestic

  • Protein Society of Japan

    2003.06 - Now   Domestic

  • Biophysical Society of Japan

    1999.10 - Now   Domestic

Committee Memberships (off-campus)

  • 分野別専門委員   日本生物物理学会  

    2019.01 - 2019.12 

Awards

  • 理化学研究所情報基盤センター Cutting Edge Award

    2011.02  

  • “Methods of Molecular Simulation 2009” ポスター賞

    2009.12  

Job Career (off-campus)

  • 横浜市立大学大学院    生命医科学研究科   客員教授

    2022.04 - Now

  • 埼玉大学    工学部情報工学科   非常勤講師 

    2021.04 - Now

  • 横浜市立大学大学院    生命医科学研究科   特任准教授

    2013.04 - 2022.03

  • 独立行政法人理化学研究所    情報基盤センター    客員研究員

    2013.04 - 2020.03

  • 独立行政法人理化学研究所     次世代計算科学研究開発プログラム   研究員

    2007.11 - 2013.03

  • オークリッジ国立研究所(アメリカ)     分子生物物理センター   博士研究員

    2007.03 - 2007.10

  • 日本学術振興会    特別研究員(博士)

    2004.04 - 2005.09

  • ハイデルベルク大学(ドイツ)   計算機科学センター (IWR)   博士研究員

    2003.10 - 2007.03

  • 横浜市立大学大学院    総合理学研究科   博士研究員

    2003.04 - 2003.09

  • 京都大学   理学部   ティーチングアシスタント

    1999.04 - 2000.03

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Education

  • Kyoto University   The second semester of doctoral program   Graduated/Completed

    2000.04 - 2003.03

  • Kyoto University   Master's Course   Graduated/Completed

    1998.04 - 2000.03

  • Kyoto University   Bachelor's Course   Graduated/Completed

    1994.04 - 1998.03

Papers

  • A Cutoff-based Method with Charge-distribution-data Driven Pair Potentials for Efficiently Estimating Electrostatic Interactions in Molecular System Reviewed

    Ikuo Fukuda, Kei Moritsugu, Junichi Higo, Yoshifumi Fukunishi

    Journal of Chemical Physics   159   234116   2023.12

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    Publishing type:Research paper (scientific journal)   International / domestic magazine:International journal  

    DOI: 10.1063/5.0172270

  • Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease.

    Moritsugu K, Ekimoto T, Ikeguchi M, Kidera A

    Journal of chemical information and modeling   63 ( 1 )   240 - 250   2023.01( ISSN:1549-9596

  • Functional dynamics of SARS-CoV-2 3C-like protease as a member of clan PA Reviewed

    Kidera, Akinori and Moritsugu, Kei and Ekimoto, Toru and Ikeguchi, Mitsunori

    Biophysical Reviews   2022.12

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    Kind of work:Joint Work  

  • Structures and mechanisms of actin ATP hydrolysis Reviewed

    Kanematsu, Yusuke and Narita, Akihiro and Oda, Toshiro and Koike, Ryotaro and Ota, Motonori and Takano, Yu and Moritsugu, Kei and Fujiwara, Ikuko and Tanaka, Kotaro and Komatsu, Hideyuki and others

    Proceedings of the National Academy of Sciences   119 ( 43 )   e21226 - 41119   2022

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    Kind of work:Joint Work  

  • Allosteric Regulation of 3CL Protease of SARS-CoV-2 and SARS-CoV Observed in the Crystal Structure Ensemble.

    Kidera A, Moritsugu K, Ekimoto T, Ikeguchi M

    Journal of molecular biology   433 ( 24 )   167324   2021.12( ISSN:0022-2836

  • Molecular basis of ubiquitin-specific protease 8 autoinhibition by the WW-like domain.

    Kakihara K, Asamizu K, Moritsugu K, Kubo M, Kitaguchi T, Endo A, Kidera A, Ikeguchi M, Kato A, Komada M, Fukushima T

    Communications biology   4 ( 1 )   1272   2021.11

  • How Can We Describe the Conformational Change of Proteins?―Advances in Path Sampling Techniques for Biomolecules

    Matsunaga Yasuhiro, Moritsugu Kei, Fujisaki Hiroshi

    Butsuri   76 ( 11 )   714 - 722   2021.11( ISSN:00290181

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    <p>Conformational change of biomolecules is essential to understand the fundamental properties of biology such as enzymatic properties, and its molecular detail should be addressed. Molecular dynamics simulations are an indispensable tool to investigate this problem, but conformational change is a “rare event” in a molecular sense because it accompanies activation processes, and conventional MD simulations are not feasible. To attack this problem, we introduce some of path sampling methods including Onsager-Machlup action method, string method, and weighted ensemble method, and illustrate some molecular examples.</p>

    DOI: 10.11316/butsuri.76.11_714

    CiNii Article

  • Multiscale Enhanced Sampling Using Machine Learning.

    Moritsugu K

    Life (Basel, Switzerland)   11 ( 10 )   2021.10

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  • Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé-Hoover Equation.

    Moritsugu K, Takeuchi K, Kamiya N, Higo J, Yasumatsu I, Fukunishi Y, Fukuda I

    Journal of chemical information and modeling   61 ( 4 )   1921 - 1930   2021.04( ISSN:1549-9596

  • Path Ensembles for Pin1-Catalyzed Cis-Trans Isomerization of a Substrate Calculated by Weighted Ensemble Simulations.

    Moritsugu K, Yamamoto N, Yonezawa Y, Tate SI, Fujisaki H

    Journal of chemical theory and computation   17 ( 4 )   2522 - 2529   2021.04( ISSN:1549-9618

  • On Ergodicity for Multidimensional Harmonic Oscillator Systems with Nosé – Hoover-type Thermostat

    Fukuda I.

    Regular and Chaotic Dynamics   26 ( 2 )   183 - 204   2021.03( ISSN:15603547

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  • Analysis of multiple data sequences with different distributions: defining common principal component axes by ergodic sequence generation and multiple reweighting composition Reviewed

    Fukuda, Ikuo and Moritsugu, Kei

    IOP SciNotes   2 ( 3 )   035201 - 035201   2021

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    Kind of work:Joint Work  

  • Temperature-energy-space sampling molecular dynamics: Deterministic and single-replica method utilizing continuous temperature system

    Fukuda I.

    Journal of Physics A: Mathematical and Theoretical   53 ( 37 )   2020.09( ISSN:17518113

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  • Inter-lobe Motions Allosterically Regulate the Structure and Function of EGFR Kinase.

    Moritsugu K, Nishino Y, Kidera A

    Journal of molecular biology   432 ( 16 )   4561 - 4575   2020.07( ISSN:0022-2836

  • Allosteric response to ligand binding: Molecular dynamics study of the N-terminal domains in IP3 receptor.

    Moritsugu K, Ito T, Kidera A

    Biophysics and physicobiology   16   232 - 239   2019

  • Dynamic recognition and linkage specificity in K63 di-ubiquitin and TAB2 NZF domain complex.

    Moritsugu K, Nishi H, Inariyama K, Kobayashi M, Kidera A

    Scientific reports   8 ( 1 )   16478   2018.11

  • Exploring Configuration Space and Path Space of Biomolecules Using Enhanced Sampling Techniques-Searching for Mechanism and Kinetics of Biomolecular Functions.

    Fujisaki H, Moritsugu K, Matsunaga Y

    International journal of molecular sciences   19 ( 10 )   2018.10

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  • Conformational change of a biomolecule studied by the weighted ensemble method: Use of the diffusion map method to extract reaction coordinates.

    Fujisaki H, Moritsugu K, Mitsutake A, Suetani H

    The Journal of chemical physics   149 ( 13 )   134112   2018.10( ISSN:0021-9606

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  • Multiscale enhanced sampling of glucokinase: Regulation of the enzymatic reaction via a large scale domain motion.

    Moritsugu K, Terada T, Kokubo H, Endo S, Tanaka T, Kidera A

    The Journal of chemical physics   149 ( 7 )   072314   2018.08( ISSN:0021-9606

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  • Energetics and conformational pathways of functional rotation in the multidrug transporter AcrB.

    Matsunaga Y, Yamane T, Terada T, Moritsugu K, Fujisaki H, Murakami S, Ikeguchi M, Kidera A

    eLife   7   2018.03

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  • Structure of the Dnmt1 Reader Module Complexed with a Unique Two-Mono-Ubiquitin Mark on Histone H3 Reveals the Basis for DNA Methylation Maintenance.

    Ishiyama S, Nishiyama A, Saeki Y, Moritsugu K, Morimoto D, Yamaguchi L, Arai N, Matsumura R, Kawakami T, Mishima Y, Hojo H, Shimamura S, Ishikawa F, Tajima S, Tanaka K, Ariyoshi M, Shirakawa M, Ikeguchi M, Kidera A, Suetake I, Arita K, Nakanishi M

    Molecular cell   68 ( 2 )   350 - 360.e7   2017.10( ISSN:1097-2765

  • Free-Energy Landscape of Protein-Ligand Interactions Coupled with Protein Structural Changes.

    Moritsugu K, Terada T, Kidera A

    The journal of physical chemistry. B   121 ( 4 )   731 - 740   2017.02( ISSN:1520-6106

  • Extended string-like binding of the phosphorylated HP1α N-terminal tail to the lysine 9-methylated histone H3 tail.

    Shimojo H, Kawaguchi A, Oda T, Hashiguchi N, Omori S, Moritsugu K, Kidera A, Hiragami-Hamada K, Nakayama J, Sato M, Nishimura Y

    Scientific reports   6   22527   2016.03

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  • Coupled Nosé-Hoover equations of motion to implement a fluctuating heat-bath temperature.

    Fukuda I, Moritsugu K

    Physical review. E   93 ( 3 )   033306   2016.03( ISSN:2470-0045

  • Multiscale enhanced sampling for protein systems: An extension via adiabatic separation Reviewed

    Moritsugu, Kei and Terada, Tohru and Kidera, Akinori

    Chemical Physics Letters   661   279 - 279   2016

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    Kind of work:Joint Work  

  • Coupled Nosé-Hoover equations of motions without time scaling Reviewed

    Fukuda, Ikuo and Moritsugu, Kei

    Journal of Physics A: Mathematical and Theoretical   50 ( 1 )   015002 - 015002   2016

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    Kind of work:Joint Work  

  • Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A Review.

    Fujisaki H, Moritsugu K, Matsunaga Y, Morishita T, Maragliano L

    Frontiers in bioengineering and biotechnology   3   125   2015

  • Motion Tree Delineates Hierarchical Structure of Protein Dynamics Observed in Molecular Dynamics Simulation.

    Moritsugu K, Koike R, Yamada K, Kato H, Kidera A

    PloS one   10 ( 7 )   e0131583   2015

  • Energy landscape of all-atom protein-protein interactions revealed by multiscale enhanced sampling.

    Moritsugu K, Terada T, Kidera A

    PLoS computational biology   10 ( 10 )   e1003901   2014.10( ISSN:1553-734X

  • Solvent friction effects propagate over the entire protein molecule through low-frequency collective modes.

    Moritsugu K, Kidera A, Smith JC

    The journal of physical chemistry. B   118 ( 29 )   8559 - 65   2014.07( ISSN:1520-6106

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  • Multiscale enhanced sampling driven by multiple coarse-grained models Reviewed

    Moritsugu, Kei and Terada, Tohru and Kidera, Akinori

    Chemical Physics Letters   616   20 - 20   2014

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    Kind of work:Joint Work  

  • マルチスケール手法によるタンパク質全原子構造サンプリング Reviewed

    森次圭

    アンサンブル   16 ( 4 )   227 - 227   2014

  • Multiscale enhanced path sampling based on the Onsager-Machlup action: application to a model polymer.

    Fujisaki H, Shiga M, Moritsugu K, Kidera A

    The Journal of chemical physics   139 ( 5 )   054117   2013.08( ISSN:0021-9606

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  • REACH coarse-grained simulation of a cellulose fiber.

    Glass DC, Moritsugu K, Cheng X, Smith JC

    Biomacromolecules   13 ( 9 )   2634 - 44   2012.09( ISSN:1525-7797

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  • Disorder-to-order transition of an intrinsically disordered region of sortase revealed by multiscale enhanced sampling.

    Moritsugu K, Terada T, Kidera A

    Journal of the American Chemical Society   134 ( 16 )   7094 - 101   2012.04( ISSN:0002-7863

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  • Minimum free energy path of ligand-induced transition in adenylate kinase.

    Matsunaga Y, Fujisaki H, Terada T, Furuta T, Moritsugu K, Kidera A

    PLoS computational biology   8 ( 6 )   e1002555   2012( ISSN:1553-734X

  • 粗視化モデルを用いたマルチスケールシミュレーションシステムの構築 Reviewed

    森次圭

    生物物理   52 ( 1 )   026 - 026   2012

  • Scalable free energy calculation of proteins via multiscale essential sampling.

    Moritsugu K, Terada T, Kidera A

    The Journal of chemical physics   133 ( 22 )   224105   2010.12( ISSN:0021-9606

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  • Theory and normal-mode analysis of change in protein vibrational dynamics on ligand binding.

    Moritsugu K, Njunda BM, Smith JC

    The journal of physical chemistry. B   114 ( 3 )   1479 - 85   2010.01( ISSN:1520-6106

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  • REACH coarse-grained normal mode analysis of protein dimer interaction dynamics.

    Moritsugu K, Kurkal-Siebert V, Smith JC

    Biophysical journal   97 ( 4 )   1158 - 67   2009.08( ISSN:0006-3495

  • REACH: A program for coarse-grained biomolecular simulation Reviewed

    Moritsugu, Kei and Smith, Jeremy C

    Computer Physics Communications   180 ( 7 )   1188 - 1188   2009

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    Kind of work:Single Work  

  • REACH coarse-grained biomolecular simulation: transferability between different protein structural classes.

    Moritsugu K, Smith JC

    Biophysical journal   95 ( 4 )   1639 - 48   2008.08( ISSN:0006-3495

  • Coarse-grained biomolecular simulation with REACH: realistic extension algorithm via covariance Hessian.

    Moritsugu K, Smith JC

    Biophysical journal   93 ( 10 )   3460 - 9   2007.11( ISSN:0006-3495

  • Temperature-dependent protein dynamics: a simulation-based probabilistic diffusion-vibration Langevin description.

    Moritsugu K, Smith JC

    The journal of physical chemistry. B   110 ( 11 )   5807 - 16   2006.03( ISSN:1520-6106

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  • Langevin model of the temperature and hydration dependence of protein vibrational dynamics.

    Moritsugu K, Smith JC

    The journal of physical chemistry. B   109 ( 24 )   12182 - 94   2005.06( ISSN:1520-6106

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  • Protein motions represented in moving normal mode coordinates Reviewed

    Moritsugu, Kei and Kidera, Akinori

    The Journal of Physical Chemistry B   108 ( 12 )   3890 - 3890   2004

  • Temperature dependence of vibrational energy transfer in a protein molecule Reviewed

    Moritsugu, Kei and Miyashita, Osamu and Kidera, Akinori

    The Journal of Physical Chemistry B   107 ( 14 )   3309 - 3309   2003

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    Kind of work:Single Work  

  • Vibrational energy transfer in a protein molecule.

    Moritsugu K, Miyashita O, Kidera A

    Physical review letters   85 ( 18 )   3970 - 3   2000.10( ISSN:0031-9007

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Books and Other Publications

  • Molecular Dynamics Simulation of Proteins: Two Models of Anharmonic Dynamics Reviewed

    Akinori Kidera, Kei Moristugu, Yasuhiro Matsunaga and Hiroshi Fujisaki( Chapter 5, p107-127)

    CRC Press, Proteins: Energy, Heat and Signal Flow  2009 

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    Book type:Textbook, survey, introduction Participation form:Second Author

Presentations

  • 生体分子に向けたシミュレーション法の開発とその応用研究 Invited Domestic conference

    森次 圭

    スーパーコンピュータワークショップ2023  2024.01 

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    Presentation type:Oral presentation (invited, special)  

    Venue:岡崎  

  • 重み付きアンサンブル法によるプロテアーゼへの基質結合・解離シミュレーション Invited Domestic conference

    森次 圭

    第3 回 構造基盤創薬化学研究会  2024.01 

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    Presentation type:Oral presentation (invited, special)  

    Venue:大阪  

  • 重み付きアンサンブル法と生体分子への応用 Domestic conference

    森次 圭

    第3回生体分子シミュレーション・モデリング研究会  2022.10 

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    Presentation type:Oral presentation (general)  

    Venue:函館  

  • VAE-driven multiscale enhanced sampling Domestic conference

    Kei Moritsugu

    日本生物物理学会第59回年会  2021.11 

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    Presentation type:Oral presentation (general)  

    Venue:仙台  

  • Enhanced sampling methods targeting at large proteins Invited Domestic conference

    Kei Moritsugu

    Enhanced sampling methods targeting at large proteins  2021.11 

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    Presentation type:Oral presentation (invited, special)  

    Venue:仙台  

  • Enhanced conformational sampling of cyclic peptide Cyclorasin by coupled Nosé-Hoover equation Domestic conference

    森次 圭

    CBI学会2020年大会  2020.10 

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    Presentation type:Oral presentation (general)  

    Venue:東京  

  • Motion Treeを用いた結晶構造・分子シミュレーション構造の解析 Invited Domestic conference

    森次 圭

    東京大学2020年度BINDSユニット連携講習会  2020.08 

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    Presentation type:Oral presentation (invited, special)  

    Venue:東京  

  • 重み付きアンサンブル法によるPin1異性化のパスサンプリング Domestic conference

    森次 圭, 山本 典史, 米澤 康滋, 楯 真一, 藤崎 弘士

    日本物理学会第75回年次大会  2020.03 

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    Presentation type:Oral presentation (general)  

    Venue:名古屋  

  • Inter-lobe motion of EGFR kinase: Determinants of structural variation in the crystal structures Domestic conference

    木寺 詔紀, 森次 圭, 西野 圭彦

    CBI学会2019年大会  2019.10 

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    Presentation type:Oral presentation (general)  

    Venue:東京  

  • MSES 法によるタンパク質の網羅的構造探索 Invited Domestic conference

    森次 圭

    レア・イベントの計算科学 第2回ワークショップ  2018.12 

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    Presentation type:Oral presentation (invited, special)  

    Venue:つくば  

  • Multicopy/multiscale simulations and their applications using massive computing Invited Domestic conference

    Kei Moritsugu

    第55回生物物理学会年会  2018.09 

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    Presentation type:Oral presentation (invited, special)  

    Venue:岡山  

  • Multiscale enhanced sampling of glucokinase: Regulation of the enzymatic reaction via a large scale domain motion Invited International conference

    Kei Moritsugu

    From Computational Biophysics to Systems Biology (CBSB 2018)  2018.05 

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    Presentation type:Oral presentation (invited, special)  

    Venue:中国  

  • 大規模計算によるマルチコピーマルチスケールシミュレーションとその応用研究 Invited Domestic conference

    森次 圭

    第1回近畿大学生物理工学部HPCシンポジウム  2018.03 

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    Presentation type:Oral presentation (invited, special)  

    Venue:和歌山  

  • 大規模シミュレーションによるグルコキナーゼ活性化機構の解析 Domestic conference

    森次 圭、寺田 透、木寺 詔紀

    日本物理学会第73回年次大会  2018.03 

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    Presentation type:Oral presentation (general)  

    Venue:野田  

  • 様々なリンケージを持つポリユビキチン鎖の全原子構造探索 Domestic conference

    森次 圭、清水 誠教、木寺 詔紀

    日本物理学会第71回年次大会  2016.03 

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    Presentation type:Oral presentation (general)  

    Venue:仙台  

  • Energy landscape of protein-ligand interaction revealed by multiscale enhanced sampling Invited International conference

    Kei Moritsugu

    Rare Event Sampling and Related Topics III  2015.11 

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    Presentation type:Oral presentation (invited, special)  

    Venue:立川  

  • MSES シミュレーションとその応用 Invited Domestic conference

    森次 圭

    計算統計物理学研究会第6回研究会  2015.11 

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    Presentation type:Oral presentation (invited, special)  

    Venue:名古屋  

  • Energy Landscape of Protein-protein and Protein-ligand Interactions Revealed by Multiscale Enhanced Sampling Invited International conference

    Kei Moritsugu

    The 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems  2015.10 

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    Presentation type:Oral presentation (invited, special)  

    Venue:名古屋  

  • 新規全原子構造探索法(MSES)とその天然変性蛋白質への適用 Invited Domestic conference

    森次 圭、寺田 透、木寺 詔紀

    第13回蛋白質科学会年会  2013.06 

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    Presentation type:Oral presentation (invited, special)  

    Venue:鳥取  

  • Molecular mechanism of allosteric regulation of an intrinsically disordered protein, sortase, revealed by comprehensive all-atom conformational sampling simulations Invited International conference

    Kei Moritsugu, Tohru Terada and Akinori Kidera

    Conference on Computational Physics (CCP) 2011  2011.10 

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    Presentation type:Oral presentation (invited, special)  

    Venue:アメリカ  

  • マルチスケール・マルチコピーシミュレーション(MSES法)による天然変性タンパク質sortaseの構造サンプリング Invited Domestic conference

    森次 圭、木寺 詔紀

    日本物理学会2011年秋季大会  2011.09 

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    Presentation type:Oral presentation (invited, special)  

    Venue:富山  

  • Multiscale enhanced sampling simulation for protein-protein interaction Domestic conference

    Kei Moritsugu, Tohru Terada and Akinori Kidera

    日本生物物理学会第49回年会  2011.09 

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    Presentation type:Oral presentation (general)  

    Venue:姫路  

  • MSESシミュレーションによるSortase A 不規則領域の構造空間探索 Domestic conference

    森次 圭

    次世代生命体統合PJ 分子スケール研究会 2010前期  2010.08 

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    Presentation type:Oral presentation (general)  

    Venue:京都  

  • MM-CGシミュレーション Invited Domestic conference

    森次 圭、木寺 詔紀

    生研セミナー:「ペタフロップスコンピューティングに向けた生体高分子シミュレーションの最前線」  2009.08 

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    Presentation type:Oral presentation (invited, special)  

    Venue:東京  

  • Coarse graining methodology for the multiscale simulation of complex biological systems Invited International conference

    Kei Moritsugu

    Young Investigators Symposium on High Performance Computing  2008.10 

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    Presentation type:Oral presentation (invited, special)  

    Venue:アメリカ  

  • Langevin Model of Protein Dynamics Invited International conference

    Kei Moritsugu and Jeremy C. Smith

    Workshop on Computer Simulations of Soft Matter and Biosystems  2007.03 

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    Presentation type:Oral presentation (invited, special)  

    Venue:ドイツ  

  • Temperature Dependent Protein Dynamics: A Simulation-Based Probabilistic Diffusion-Vibration Langevin Description International conference

    Kei Moritsugu and Jeremy C. Smith

    EMBIO meeting Vienna  2006.05 

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    Presentation type:Oral presentation (general)  

    Venue:オーストリア  

  • Langevin Model of Protein Dynamics International conference

    Kei Moritsugu and Jeremy C. Smith

    Methods of Molecular Simulations 2005  2005.07 

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    Presentation type:Oral presentation (general)  

    Venue:ドイツ  

  • Langevin Model of Protein Dynamics International conference

    Kei Moritsugu and Jeremy C. Smith

    Computer Simulation and Theory of Macromolecules 2005  2005.04 

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    Presentation type:Oral presentation (general)  

    Venue:ドイツ  

  • 動的な座標系として表現される蛋白質のダイナミクス Invited Domestic conference

    森次 圭、木寺 詔紀

    生理学研究所研究会「生体分子のダイナミクス及びプリオン機構」  2003.03 

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    Presentation type:Oral presentation (invited, special)  

    Venue:岡崎  

  • 動的な座標系として表現される蛋白質のダイナミクス Domestic conference

    森次 圭、木寺 詔紀

    日本生物物理学会第40回年会  2002.11 

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    Presentation type:Oral presentation (general)  

    Venue:名古屋  

  • 蛋白質分子内の振動エネルギー移動―低振動モードへの拡張 Domestic conference

    森次 圭、宮下 治、木寺 詔紀

    日本生物物理学会第38回年会  2000.09 

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    Presentation type:Oral presentation (general)  

    Venue:仙台  

  • ミオグロビンの振動エネルギー緩和の分子動力学シミュレーション Domestic conference

    森次 圭、宮下 治、木寺 詔紀

    第13回分子シミュレーション討論会  1999.12 

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    Presentation type:Oral presentation (general)  

    Venue:京都  

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Grant-in-Aid for Scientific Research

  • 環境パラメタを分割変数型にした動力学と環境情報入力を最適化した分子相互作用計 算

    Grant-in-Aid for Scientific Research(C)  2023.04

  • 計算手法を駆使しアクチン構造変化が関わるフィラメント形成の不可逆性を明らかにする

    Grant-in-Aid for Scientific Research(C)  2023.04

  • 高次元生命ダイナミクス時系列の機械学習による低次元系への縮約と制御への応用

    Grant-in-Aid for Scientific Research(C)  2022.04

  • 深層パラメタ変動ダイナミクスと電荷分布依存ポテンシャル関数を用いた分子動力学法

    Grant-in-Aid for Scientific Research(C)  2020.04

  • タンパク質ダイナミクスの非マルコフ性: 状態遷移の履歴に関わる構造起源を探る

    Grant-in-Aid for Scientific Research(C)  2020.04

  • 一般化カットオフ法と合成系密度力学による多様な分子動力学 シミュレーションの実現

    Grant-in-Aid for Scientific Research(C)  2017.04

  • 酵素反応のボトルネックを探る:反応経路サンプリングによる 計算と実験による検証

    Grant-in-Aid for Scientific Research(C)  2017.04

  • 全原子構造探索によるリガンド結合過程の解析

    Grant-in-Aid for Young Scientists(B)  2015.04

  • 全原子構造探索によるタンパク質相互作用過程の解析

    Grant-in-Aid for Young Scientists(B)  2013.04

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Incentive donations / subsidies

  • 生体分子のレアイベントサンプリング手法の開発と計算創薬への応用

    住友財団  基礎科学研究助成  2019.11