Toshifumi Mori

发表

Conformational Excitation and Nonequilibrium Transition Facilitate Enzymatic Reactions: Application to Pin1 Peptidyl-Prolyl Isomerase.

Toshifumi Mori, S. Saito, 2019, The journal of physical chemistry letters.

The role of Rydberg states in the photochemical dynamics of ethylene

T. Martínez, Toshifumi Mori, M. Schuurman, 2019 .

Atomic-scale origins of slowness in the cyanobacterial circadian clock

Shuji Akiyama, Takao Kondo, Shinji Saito, 2015, Science.

Photochemical Dynamics of Ethylene Cation C2H4(.).

T. Martínez, Toshifumi Mori, A. Suits, 2014, The journal of physical chemistry letters.

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

T. Martínez, Toshifumi Mori, A. Stolow, 2018, The Journal of chemical physics.

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

S. Sakaki, Toshifumi Mori, S. Aono, 2016, Journal of chemical theory and computation.

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

Toshifumi Mori, S. Saito, 2022, The journal of physical chemistry. B.

Dissecting the dynamics during enzyme catalysis: A case study of Pin1 peptidyl-prolyl isomerase.

Toshifumi Mori, S. Saito, 2020, Journal of chemical theory and computation.

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

Toshifumi Mori, S. Kato, 2007 .

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

T. Martínez, Toshifumi Mori, W. Glover, 2012, Faraday discussions.

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

T. Martínez, Toshifumi Mori, A. Stolow, 2018, The Journal of chemical physics.

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

Toshifumi Mori, S. Saito, 2016, The journal of physical chemistry. B.

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

Toshifumi Mori, S. Kato, Katsuhiro Nakano, 2010, The Journal of chemical physics.

Exploring the Conical Intersection Seam: The Seam Space Nudged Elastic Band Method.

T. Martínez, Toshifumi Mori, 2013, Journal of chemical theory and computation.

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

K. Okazaki, Toshifumi Mori, N. Matubayasi, 2022, The Journal of chemical physics.

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

Stephan Irle, Hu-Jun Qian, Puja Goyal, 2014, The journal of physical chemistry. B.

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

Toshifumi Mori, S. Saito, S. Oiki, 2018, Physical chemistry chemical physics : PCCP.

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

K. Okazaki, Toshifumi Mori, N. Matubayasi, 2020, The Journal of chemical physics.

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

Toshifumi Mori, Qiang Cui, R. Hamers, 2013, Journal of chemical theory and computation.

Dynamic heterogeneity in the folding/unfolding transitions of FiP35.

Shinji Saito, Toshifumi Mori, Toshifumi Mori, 2015, The Journal of chemical physics.

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

Toshifumi Mori, P. Pongprayoon, 2018, Physical chemistry chemical physics : PCCP.

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

Toshifumi Mori, S. Kato, 2009 .