Basic Information

Faculty

• Faculty of Engineering

Academic Degree

• 23 Mar. 2007

  京都大学修士（理学）
• 23 Mar. 2010

  京都大学博士（理学）

Research History

• From Apr. 2026, To Mar. 2028

  Institute for Molecular Science, Visiting Associate Professor
• From Aug. 2024, To Oct. 2024

  Boston University, Visiting Researcher
• From Mar. 2026, To Present

  Kyoto University, Graduate School of Engineering, Associate Professor
• From Oct. 2020, To Feb. 2026

  Kyushu University, Interdisciplinary Graduate School of Engineering Sciences, Associate Professor
• From Oct. 2020, To Feb. 2026

  Kyushu University, Institute for Materials Chemistry and Engineering, Division of Applied Molecular Chemistry, Associate Professor
• From Apr. 2014, To Sep. 2020

  Graduate University for Advanced Studies, 物理科学研究科, Assistant Professor
• From Dec. 2013, To Sep. 2020

  Institute for Molecular Science, 助教
• From Apr. 2013, To Nov. 2013

  University of Wisconsin - Madison, Department of Chemistry, JSPS Postdoctoral Fellow for Research Abroad
• From Oct. 2012, To Mar. 2013

  University of Wisconsin - Madison, Department of Chemistry, Postdoctoral fellow
• From Apr. 2010, To Sep. 2012

  Stanford University, Department of Chemistry, Postdoctoral fellow

ID,URL

• ORCID ID

  0000-0003-0188-0794

• J-Global ID

  201601004772492153

• External link

  https://www.riron.moleng.kyoto-u.ac.jp/index_en.html

researchmap URL

• https://researchmap.jp/tmori

Research

Research Interests

• conformational dynamics
• Pin1
• KaiC
• reaction dynamics
• Folding
• Molecular Simulation
• Enzymatic Reaction
• Quantum Chemistry
• Physical Biology
• Theoretical Chemistry
• Physical Chemistry

Research Areas

• Life sciences, Biophysics
• Nanotechnology/Materials, Basic physical chemistry

Papers

• Deep learning of committor and explainable artificial intelligence analysis for identifying reaction coordinates

  Toshifumi Mori; Kei-ichi Okazaki; Kang Kim; Nobuyuki Matubayasi

  Chemical Physics Reviews, 01 Sep. 2026

  Access this paper :

  
• Moiety-specific mechanism of ATP's hydrotropic action on α-synuclein

  Yusuke Shuto; Toshifumi Mori; Benjamin Kohn; Erik Walinda; Daichi Morimoto; Ulrich Scheler; Masatomo So; Ayako Furukawa; Norio Yoshida; Kenji Sugase

  Physical Chemistry Chemical Physics, 2026

  Access this paper :

  
• IEPDYN: Integral-equation formalism of population dynamics

  Kento Kasahara; Ryo Okabe; Chia-en A. Chang; Toshifumi Mori; Nobuyuki Matubayasi

  The Journal of Chemical Physics, 28 Mar. 2026

  
• Investigating the capabilities of nano-sized graphene and graphene oxide to be a nanosorbent for mixed pesticides in solution: MD simulation study

  Prin Tadawattana; Sirin Sittiwanichai; Kyohei Kawashima; Jitti Niramitranon; Toshifumi Mori; Prapasiri Pongprayoon

  Chinese Journal of Chemical Engineering, Jun. 2026

  
• Deep learning of committor for ion dissociation and interpretable analysis of solvent effects using atom-centered symmetry functions

  Kenji Okada; Kazushi Okada; Kei-ichi Okazaki; Toshifumi Mori; Kang Kim; Nobuyuki Matubayasi

  The Journal of Chemical Physics, 02 Mar. 2026

  
• The priming phosphorylation of KaiC is activated by the release of its autokinase autoinhibition

  Yoshihiko Furuike; Yasuhiro Onoue; Shinji Saito; Toshifumi Mori; Shuji Akiyama

  PNAS Nexus, 30 Apr. 2025, Peer-reviewed, Corresponding author

  
• Elucidating chiral myosin–induced actin dynamics: From single-filament behavior to collective structures

  Takeshi Haraguchi; Kohei Yoshimura; Yasuhiro Inoue; Takuma Imi; Koyo Hasegawa; Taisei Nagai; Hideki Furusawa; Toshifumi Mori; Kenji Matsuno; Kohji Ito

  Proceedings of the National Academy of Sciences, 03 Feb. 2026

  Access this paper :

  
• Exploring the Capabilities of Nanosized Graphene Oxide as a Pesticide Nanosorbent: Simulation Studies

  Prin Tadawattana; Kyohei Kawashima; Sirin Sittiwanichai; Jiraroj T-Thienprasert; Toshifumi Mori; Prapasiri Pongprayoon

  ACS Omega, 11 Mar. 2025, Peer-reviewed, Corresponding author

  
• Molecular basis underlying the specificity of an antagonist AA92593 for mammalian melanopsins

  Kohei Obayashi; Ruisi Zou; Tomoki Kawaguchi; Toshifumi Mori; Hisao Tsukamoto

  Journal of Biological Chemistry, Mar. 2025, Peer-reviewed

  
• Investigating the hyperparameter space of deep neural network models for reaction coordinates

  Kyohei Kawashima; Takumi Sato; Kei-ichi Okazaki; Kang Kim; Nobuyuki Matubayasi; Toshifumi Mori

  APL Machine Learning, 01 Mar. 2025, Peer-reviewed, Last author, Corresponding author

  
• Divergent Synthesis of Silacycles by Ligand-Controlled Rhodium-Catalyzed Annulation of (2-Hydrosilylaryl)acetylenes.

  Kazuto Fuji; Kyohei Kawashima; Toshifumi Mori; Kohei Sekine; Yoichiro Kuninobu

  Organic letters, 21 Feb. 2025, Peer-reviewed

  
• Mechanistic insights into the role of cyclodextrin in the regioselective radical CH trifluoromethylation of aromatic compounds

  Kyohei Kawashima; Xu Lu; Yoichiro Kuninobu; Toshifumi Mori

  Journal of Computational Chemistry, 30 Sep. 2024, Peer-reviewed, Last author, Corresponding author

  
• Aggregation of Apo/Glycated Human Serum Albumins and Aptamer-Saturated Graphene Quantum Dot: A Simulation Study

  Sirin Sittiwanichai; Chanya Archapraditkul; Deanpen Japrung; Yasuteru Shigeta; Toshifumi Mori; Prapasiri Pongprayoon

  Biochemistry, 02 Jul. 2024, Peer-reviewed, Corresponding author

  
• Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach

  Kazushi Okada; Takuma Kikutsuji; Kei-ichi Okazaki; Toshifumi Mori; Kang Kim; Nobuyuki Matubayasi

  The Journal of Chemical Physics, 07 May 2024, Peer-reviewed, Corresponding author

  
• Carbamoylarylation of Alkenes with N-Aryl Oxamic Acids Involving 1,4-Aryl Migration Via C(aryl)–N Bond Cleavage

  Akira Shiozuka; Di Wu; Kyohei Kawashima; Toshifumi Mori; Kohei Sekine; Yoichiro Kuninobu

  ACS Catalysis, 19 Apr. 2024, Peer-reviewed

  
• Conformational Dynamics in Proteins: Entangled Slow Fluctuations and Nonequilibrium Reaction Events

  Junichi Ono; Yoshihiro Matsumura; Toshifumi Mori; Shinji Saito

  The Journal of Physical Chemistry B, 22 Dec. 2023, Peer-reviewed, Invited, Lead author

  
• Tuning the ATP–ATP and ATP–disordered protein interactions in high ATP concentration by altering water models

  Toshifumi Mori; Norio Yoshida

  The Journal of Chemical Physics, 21 Jul. 2023, Peer-reviewed, Lead author, Corresponding author

  
• Structural and Dynamic Alteration of Glycated Human Serum Albumin in Schiff Base and Amadori Adducts: A Molecular Simulation Study

  Sirin Sittiwanichai; Deanpen Japrung; Toshifumi Mori; Prapasiri Pongprayoon

  The Journal of Physical Chemistry B, 15 Jun. 2023, Peer-reviewed, Corresponding author

  
• Bifunctional 1-Hydroxypyrene Photocatalyst for Hydrodesulfurization via Reductive C(Aryl)–S Bond Cleavage

  Di Wu; Akira Shiozuka; Kyohei Kawashima; Toshifumi Mori; Kohei Sekine; Yoichiro Kuninobu

  Organic Letters, 12 May 2023, Peer-reviewed

  
• Near‐Infrared and Dual Emissions of Diphenylamino Group‐Substituted Malachite Green Derivatives

  Toshiaki Mori; Kohei Sekine; Kyohei Kawashima; Toshifumi Mori; Yoichiro Kuninobu

  European Journal of Organic Chemistry, 19 Aug. 2022, Peer-reviewed

  
• Molecular Insights into the Intrinsic Dynamics and Their Roles During Catalysis in Pin1 Peptidyl-prolyl Isomerase

  Toshifumi Mori; Shinji Saito

  The Journal of Physical Chemistry B, 07 Jul. 2022, Peer-reviewed, Lead author, Corresponding author

  
• Photoinduced Divergent Deaminative Borylation and Hydrodeamination of Primary Aromatic Amines

  Akira Shiozuka; Kohei Sekine; Takumi Toki; Kyohei Kawashima; Toshifumi Mori; Yoichiro Kuninobu

  Organic Letters, 17 Jun. 2022, Peer-reviewed, Corresponding author

  
• Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)

  Takuma Kikutsuji; Yusuke Mori; Kei-ichi Okazaki; Toshifumi Mori; Kang Kim; Nobuyuki Matubayasi

  The Journal of Chemical Physics, 21 Apr. 2022, Peer-reviewed

  
• Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide

  Yusuke Mori; Kei-ichi Okazaki; Toshifumi Mori; Kang Kim; Nobuyuki Matubayasi

  JOURNAL OF CHEMICAL PHYSICS, Aug. 2020, Peer-reviewed

  
• Dissecting the Dynamics during Enzyme Catalysis: A Case Study of Pin1 Peptidyl-Prolyl Isomerase

  Toshifumi Mori; Shinji Saito

  JOURNAL OF CHEMICAL THEORY AND COMPUTATION, May 2020, Peer-reviewed, Lead author, Corresponding author

  
• Conformational Excitation and Nonequilibrium Transition Facilitate Enzymatic Reactions: Application to Pin1 Peptidyl–Prolyl Isomerase

  Toshifumi Mori; Shinji Saito

  The Journal of Physical Chemistry Letters, 07 Feb. 2019, Peer-reviewed, Lead author, Corresponding author

  
• Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations

  William J. Glover; Toshifumi Mori; Michael S. Schuurman; Andrey E. Boguslavskiy; Oliver Schalk; Albert Stolow; Todd J. Martínez

  Journal of Chemical Physics, 28 Apr. 2018, Peer-reviewed

  
• Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy

  Boguslavskiy, A.E.; Schalk, O.; Gador, N.; Glover, W.J.; Mori, T.; Schultz, T.; Schuurman, M.S.; Mart{\'i}nez, T.J.; Stolow, A.

  Journal of Chemical Physics, Apr. 2018, Peer-reviewed

  
• The critical role of dimer formation in monosaccharides binding to human serum albumin

  Prapasiri Pongprayoon; Toshifumi Mori

  Physical Chemistry Chemical Physics, 07 Feb. 2018, Peer-reviewed, Last author, Corresponding author

  
• Structure and dynamics of solvent molecules inside the polytheonamide B channel in different environments: A molecular dynamics study

  Mahroof Kalathingal; Takashi Sumikama; Toshifumi Mori; Shigetoshi Oiki; Shinji Saito

  Physical Chemistry Chemical Physics, 07 Feb. 2018, Peer-reviewed

  
• Molecular Mechanism Behind the Fast Folding/Unfolding Transitions of Villin Headpiece Subdomain: Hierarchy and Heterogeneity

  Toshifumi Mori; Shinji Saito

  JOURNAL OF PHYSICAL CHEMISTRY B, Nov. 2016, Peer-reviewed, Lead author, Corresponding author

  
• 3D-RISM-MP2 Approach to Hydration Structure of Pt(II) and Pd(II) Complexes: Unusual H-Ahead Mode vs Usual O-Ahead One

  Shinji Aono; Toshifumi Mori; Shigeyoshi Sakaki

  JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Mar. 2016, Peer-reviewed

  
• Atomic-scale origins of slowness in the cyanobacterial circadian clock

  Jun Abe; Takuya B. Hiyama; Atsushi Mukaiyama; Seyoung Son; Toshifumi Mori; Shinji Saito; Masato Osako; Julie Wolanin; Eiki Yamashita; Takao Kondo; Shuji Akiyama

  SCIENCE, Jul. 2015, Peer-reviewed, Lead author

  
• Dynamic heterogeneity in the folding/unfolding transitions of FiP35

  Toshifumi Mori; Shinji Saito

  JOURNAL OF CHEMICAL PHYSICS, Apr. 2015, Peer-reviewed, Lead author, Corresponding author

  
• Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models

  Puja Goyal; Hu-Jun Qian; Stephan Irle; Xiya Lu; Daniel Roston; Toshifumi Mori; Marcus Elstner; Qiang Cui

  JOURNAL OF PHYSICAL CHEMISTRY B, Sep. 2014, Peer-reviewed

  
• Integrated Hamiltonian Sampling: A Simple and Versatile Method for Free Energy Simulations and Conformational Sampling

  Toshifumi Mori; Robert J. Hamers; Joel A. Pedersen; Qiang Cui

  JOURNAL OF PHYSICAL CHEMISTRY B, Jul. 2014, Peer-reviewed, Lead author, Corresponding author

  
• Photochemical Dynamics of Ethylene Cation C2H4+

  Baptiste Joalland; Toshifumi Mori; Todd J. Martinez; Arthur G. Suits

  JOURNAL OF PHYSICAL CHEMISTRY LETTERS, Apr. 2014, Peer-reviewed

  
• An Explicit Consideration of Desolvation is Critical to Binding Free Energy Calculations of Charged Molecules at Ionic Surfaces

  Toshifumi Mori; Robert J. Hamers; Joel A. Pedersen; Qiang Cui

  JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Nov. 2013, Peer-reviewed

  
• Exploring the conical intersection seam: The seam space nudged elastic band method

  Mori, T.; Mart{\'i}nez, T.J.

  Journal of Chemical Theory and Computation, Feb. 2013, Peer-reviewed

  
• Between ethylene and polyenes - the non-adiabatic dynamics of cis-dienes

  Thomas S. Kuhlman; William J. Glover; Toshifumi Mori; Klaus B. Moller; Todd J. Martinez

  FARADAY DISCUSSIONS, Apr. 2012, Peer-reviewed

  
• Role of Rydberg States in the Photochemical Dynamics of Ethylene

  Toshifumi Mori; William J. Glover; Michael S. Schuurman; Todd J. Martinez

  JOURNAL OF PHYSICAL CHEMISTRY A, Mar. 2012, Peer-reviewed, Lead author

  
• Conical intersections of free energy surfaces in solution: Effect of electron correlation on a protonated Schiff base in methanol solution

  Toshifumi Mori; Katsuhiro Nakano; Shigeki Kato

  JOURNAL OF CHEMICAL PHYSICS, Aug. 2010, Peer-reviewed, Lead author, Corresponding author

  
• Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study

  Toshifumi Mori; Shigeki Kato

  CHEMICAL PHYSICS LETTERS, Jul. 2009, Peer-reviewed

  
• Grignard Reagents in Solution: Theoretical Study of the Equilibria and the Reaction with a Carbonyl Compound in Diethyl Ether Solvent

  Toshifumi Mori; Shigeki Kato

  JOURNAL OF PHYSICAL CHEMISTRY A, May 2009, Peer-reviewed

  
• Analytical RISM-MP2 free energy gradient method: Application to the Schlenk equilibrium of Grignard reagent

  Toshifumi Mori; Shigeki Kato

  CHEMICAL PHYSICS LETTERS, Mar. 2007, Peer-reviewed

  

Misc.

• Molecular basis underlying specific interaction of mammalian melanopsins with an antagonist AA92593

  Kohei Obayashi; Ruisi Zou; Toshifumi Mori; Hisao Tsukamoto

  bioRxiv, 01 Nov. 2024

  
• 超長時間シミュレーションで見るタンパク質のフォールディング過程

  森 俊文; 斉藤真司

  生物物理, 2017, Peer-reviewed, Invited

  

Presentations

• Elucidating the role of hierarchical dynamics in biomolecules: From chemical reactions to functions

  Toshifumi Mori

  Theoretical Chemistry Institute (TCI) Special Seminar, 07 Jul. 2026, Invited

  
• 溶液内反応における構造ダイナミクスと化学反応の協奏の理論研究

  森 俊文

  第6回IRCCSフォーラム産学共創ワークショップ, 14 Jan. 2026, Invited

  
• Elucidating the role of hierarchical dynamics in biomolecules: From chemical reactions to biological functions

  Toshifumi Mori

  The International Chemical Congress of Pacific Basin Societies (PacifiChem) 2025, 19 Dec. 2025, Invited

  
• Uncovering ligand recognition and conformational transition mechanisms using machine learning-based simulations

  Toshifumi Mori

  The International Chemical Congress of Pacific Basin Societies (PacifiChem) 2025, 18 Dec. 2025, Invited

  
• Hierarchical protein dynamics and their role in conformational transitions and enzyme catalysis

  Toshifumi Mori

  The International Chemical Congress of Pacific Basin Societies (PacifiChem) 2025, 16 Dec. 2025, Invited

  
• 生体分子の動きを読み解き、創り、制御する

  森 俊文

  分子研研究会「2050年の生体分子科学を語る」, 22 Oct. 2025, Invited

  
• シアノバクテリアの時計タンパク質でみる概日リズムの分子起源

  森 俊文

  第32回日本時間生物学会学術大会, 05 Oct. 2025, Invited

  
• 分子シミュレーションで迫る生体分子の構造ダイナミクスと機能

  森 俊文

  九重分子科学セミナー2025, 20 Sep. 2025, Invited

  
• Elucidating the Conformational Dynamics of Proteins During Catalysis and Function

  Toshifumi Mori

  Taiwan Theoretical and Computational Molecular Sciences Association (T2CoMSA) Workshop, 21 Aug. 2025, Invited

  
• Investigating the roles of ATP in biomolecular environments: from energy source to hydrotrope

  Toshifumi Mori

  Telluride Science Research Center 2025 Workshop on Protein Dynamics, 31 Jul. 2025, Invited

  
• 計算科学で迫るKaiCの構造ダイナミクスと化学反応過程

  森 俊文

  CyanoClock 7, 21 Jun. 2025, Invited

  
• Elucidating the Conformational Dynamics of Proteins During Enzyme Catalysis

  Toshifumi Mori

  11th Asia Pacific Association of Theoretical and Computational Chemistry, 25 Apr. 2025, Invited

  
• Elucidating the heterogeneous dynamics of proteins during folding and function from molecular simulations

  Toshifumi Mori

  Sugadaira Winter Workshop 2025 on “the Role of Fluctuations and Dynamics in Bio and Soft Matter”, 11 Jan. 2025, Invited

  
• 酵素反応の階層的ダイナミクスと反応座標

  森 俊文

  レア・イベントの計算科学 第7回ワークショップ, 01 Dec. 2024, Invited

  
• Revisiting enzyme catalysis from static and dynamic perspectives

  Toshifumi Mori

  Greater Boston Area Theoretical Chemistry Seminar, 02 Oct. 2024, Invited

  
• Theoretical study on the role of dynamics during enzyme catalysis

  Toshifumi Mori

  Pure and Applied Chemistry International Conference 2024, 26 Jan. 2024, Invited

  
• Theoretical study on the role of protein conformational dynamics during enzyme catalysis

  森 俊文

  令和5年度化学系学協会東北大会および日本化学会東北支部80周年記念国際会議;物理化学コロキウム, 08 Sep. 2023, Invited

  
• Bridging the gap between static and dynamic reaction mechanisms in enzyme catalysis

  Toshifumi Mori

  Multi-scale Molecular Dynamics Simulation and Machine Learning of Biomolecular Systems Workshop, 09 Aug. 2023, Invited

  
• Dissecting the heterogeneous dynamics of proteins during folding and catalysis

  Toshifumi Mori

  Telluride Science Research Center Workshop on Protein Dynamics, 27 Jul. 2023, Invited

  
• Elucidating the Role of Dynamics During Enzyme Catalysis using Molecular Simulations

  Toshifumi Mori

  7th International Symposium of Quantum Beam Science at Ibaraki University, 01 Dec. 2022, Invited

  
• Theoretical study on the conformational dynamics of proteins in disordered states under different solvent environments

  Toshifumi Mori

  The 60th Annual Meeting of the Biophysical Society of Japan;Symposium on Protein aggregation driven by dynamic solution environments, 28 Sep. 2022, Invited

  
• 凝縮系反応の動的機構と反応座標の理論的解明

  森 俊文

  「化学反応経路探索のニューフロンティア 2022」シンポジウム, 18 Sep. 2022, Invited

  
• Role of dynamics in conformational transitions and functions of biomolecules

  Toshifumi Mori

  日本化学会第102春季大会;アジア国際シンポジウム―物理化学ディビジョン, 23 Mar. 2022, Invited

  
• 生体分子の動的構造と機能発現機構の理論的解明

  森 俊文

  京都大学福井謙一記念研究センターオンラインシンポジウム, 26 Jan. 2022, Invited

  

Awards

• 20 Sep. 2017

  若手招待講演賞（日本生物物理学会）
• 10 Sep. 2018

  奨励賞（分子科学会）

External funds: Kakenhi

• Proving the fundamental principles that produce the unidirectional motion shared by kinesin motor cores

  Grant-in-Aid for Scientific Research (B)

  Basic Section 43040:Biophysics-related

  The University of Tokyo

  矢島 潤一郎

  From 01 Apr. 2025, To 31 Mar. 2028, Granted

  キネシン;モータータンパク質

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-25K02235/
• On the molecular mechanism of ATP hydrolysis in KaiC and the origin of temperature compensation

  Grant-in-Aid for Transformative Research Areas (A)

  Transformative Research Areas, Section (III)

  Kyoto University;Kyushu University

  森 俊文

  From 01 Apr. 2025, To 31 Mar. 2027, Granted

  構造ダイナミクス;時計タンパク質;分子シミュレーション;ATP加水分解反応;リン酸化反応

  https://kaken.nii.ac.jp/grant/KAKENHI-PUBLICLY-25H02464/
• Elucidating the molecular mechanism of chiral chromatography from theoretical approaches

  Grant-in-Aid for Challenging Research (Exploratory)

  Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields

  Kyushu University

  森 俊文

  From 28 Jun. 2024, To 31 Mar. 2027, Granted

  分子シミュレーション;構造ダイナミクス;キラルカラム;キラル分子;糖鎖;キラリティ

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-24K21756/
• Theoretical study of reaction dynamics of enzyme catalysis

  Fund for the Promotion of Joint International Research (Fostering Joint International Research)

  Basic Section 32010:Fundamental physical chemistry-related

  Kyushu University

  森 俊文

  From 01 Apr. 2024, To 31 Mar. 2027, Granted

  構造ダイナミクス;分子シミュレーション;酵素反応;反応速度論;自由エネルギー

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23KK0254/
• Theoretical study on the molecular mechanism of conformational transitions and catalysis in enzymes

  Grant-in-Aid for Scientific Research (B)

  Basic Section 32010:Fundamental physical chemistry-related

  Kyushu University

  森 俊文

  From 01 Apr. 2024, To 31 Mar. 2026, Granted

  構造ダイナミクス;分子シミュレーション;機械学習;酵素反応;自由エネルギー;遷移状態;深層学習

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23K23303/
• Development of DYASIN: Novel Approach to Enantioenriched Chiral Molecules

  Grant-in-Aid for Scientific Research (S)

  Broad Section E

  Kyushu University

  Katsuhiko Tomooka

  From 31 Aug. 2020, To 31 Mar. 2025, Project Closed

  動的不斉誘起;光学活性体;動的キラル分子;静的キラル分子;外的キラル因子

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20H05677/
• Theoretical study of enzymatic reaction dynamics

  Grant-in-Aid for Scientific Research (C)

  Basic Section 32010:Fundamental physical chemistry-related

  Kyushu University;Institute for Molecular Science

  Toshifumi Mori

  From 01 Apr. 2018, To 31 Mar. 2021, Project Closed

  酵素反応;反応ダイナミクス;分子シミュレーション;遷移経路;自由エネルギー;Pin1;構造励起状態;反応座標探索;交差エントロピー;構造揺らぎ;プロリン異性化酵素

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-18K05049/
• Molecular Study of the interplay between chemical reactions and protein conformational changes in biomolecular systems

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

  Science and Engineering

  Institute for Molecular Science

  森 俊文

  From 01 Apr. 2016, To 31 Mar. 2018, Project Closed

  酵素反応;Pin1;自由エネルギー;反応ダイナミクス;構造揺らぎ;分子シミュレーション;遷移状態;構造変化ダイナミクス;時計タンパク質

  https://kaken.nii.ac.jp/grant/KAKENHI-PUBLICLY-16H00856/
• Molecular study of the heterogeneous dynamics behind structure and function in proteins

  Grant-in-Aid for Young Scientists (B)

  Institute for Molecular Science

  Toshifumi MORI

  From 01 Apr. 2015, To 31 Mar. 2018, Project Closed

  構造変化ダイナミクス;自由エネルギー;分子シミュレーション;タンパク質;酵素反応;フォールディング;時計タンパク質KaiC;Ubiquitin;Pin1;Villin headpiece;時計タンパク質

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-15K17813/
• 天然変性タンパク質の動的構造と機能発現機構の分子論的解明

  Grant-in-Aid for Research Activity Start-up

  Institute for Molecular Science

  森 俊文

  From 29 Aug. 2014, To 31 Mar. 2015, Project Closed

  構造変化ダイナミクス;自由エネルギー;分子シミュレーション;WWドメイン;フォールディング

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-26888019/

Education

Teaching subject(s)

• From 01 Apr. 2026, To 31 Mar. 2027

  Mathematical Method in Chemistry II

  7220, Spring, Faculty of Engineering, 2
• From 01 Apr. 2026, To 31 Mar. 2027

  ILAS Seminar

  Z001, Spring, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2026, To 31 Mar. 2027

  Physical Chemistry(Quantum and Micro)

  H949, Spring, Graduate School of Engineering, 1.5

Academic, Social Contribution

Committee Memberships

• From Sep. 2026, To Aug. 2030

  運営委員, 分子科学会

Academic Contribution

• Editorial Board

  Planning, management, etc., Peer review

  Japan Society for Molecular Science, From 01 Sep. 2026, To Present

  
• Editorial Board

  Planning, management, etc., session chair, etc., Peer review

  The Molecular Simulation Society of Japan, From 01 Jan. 2024, To 31 Dec. 2026

  
• 第40回分子シミュレーション討論会実行委員

  Planning, management, etc.

  分子シミュレーション学会, From 07 Dec. 2026, To 09 Dec. 2026

  
• MSAM Satellite Mini-Workshop 世話人

  Planning, management, etc.

  From 27 May 2026, To 27 May 2026

  
• Telluride Workshop on Protein Dynamics 世話人

  Planning, management, etc.

  Telluride Science and Innovation Center, From 28 Jul. 2025, To 31 Jul. 2025

  
• 第27回理論化学討論会実行委員

  Planning, management, etc.

  理論化学会, From 22 Jul. 2025, To 24 Jul. 2025

  

Social Contribution

• 出前授業（甲山中学校・3年生）

  Lecturer

  From 30 Nov. 2015

  
• 第18回分子シミュレーション夏の学校

  Lecturer

  From 01 Sep. 2014, To 03 Sep. 2014