Fumio Hirata

Okazaki, 4448585, Japan

Last Updated: 09/26/2026

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Found 26 publications

Structural Fluctuation, Relaxation, and Folding of Protein: An Approach Based on the Combined Generalized Langevin and RISM/3D-RISM Theories.

Structural Fluctuation, Relaxation, and Folding of Protein: An Approach Based on the Combined Generalized Langevin and RISM/3D-RISM Theories.

Journal: Molecules (Basel, Switzerland)

Published: September 04, 2023

A theory of chemical reactions in biomolecules in solution: Generalized Langevin mode analysis (GLMA).

A theory of chemical reactions in biomolecules in solution: Generalized Langevin mode analysis (GLMA).

Journal: The Journal of chemical physics

Published: April 15, 2023

Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis.

Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis.

Journal: Journal of computational chemistry

Published: June 11, 2022

Computational Screening of a Functional Cyclodextrin Derivative for Suppressing a Side Effect of Doxorubicin.

Computational Screening of a Functional Cyclodextrin Derivative for Suppressing a Side Effect of Doxorubicin.

Journal: The journal of physical chemistry. B

Published: March 01, 2021

Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory.

Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory.

Journal: Molecules (Basel, Switzerland)

Published: November 08, 2020

Differential mode of cholesterol inclusion with 2-hydroxypropyl-cyclodextrins increases safety margin in treatment of Niemann-Pick disease type C.

Differential mode of cholesterol inclusion with 2-hydroxypropyl-cyclodextrins increases safety margin in treatment of Niemann-Pick disease type C.

Journal: British journal of pharmacology

Published: June 29, 2020

New Protocol for Predicting the Ligand-Binding Site and Mode Based on the 3D-RISM/KH Theory.

New Protocol for Predicting the Ligand-Binding Site and Mode Based on the 3D-RISM/KH Theory.

Journal: Journal of chemical theory and computation

Published: March 17, 2020

Role of Mg2+ Ions in DNA Hydrolysis by EcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics.

Role of Mg2+ Ions in DNA Hydrolysis by EcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics.

Journal: The journal of physical chemistry. B

Published: August 18, 2018

Predicting the Binding Mode of 2-Hydroxypropyl-β-cyclodextrin to Cholesterol by Means of the MD Simulation and the 3D-RISM-KH Theory.

Predicting the Binding Mode of 2-Hydroxypropyl-β-cyclodextrin to Cholesterol by Means of the MD Simulation and the 3D-RISM-KH Theory.

Journal: The journal of physical chemistry. B

Published: March 15, 2018

Perspective: Structural fluctuation of protein and Anfinsen's thermodynamic hypothesis.

Perspective: Structural fluctuation of protein and Anfinsen's thermodynamic hypothesis.

Journal: The Journal of chemical physics

Published: January 15, 2018

A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method.

A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method.

Journal: Journal of chemical information and modeling

Published: October 12, 2017

A molecular theory of the structural dynamics of protein induced by a perturbation.

A molecular theory of the structural dynamics of protein induced by a perturbation.

Journal: The Journal of chemical physics

Published: December 25, 2016

Showing 1-12 of 26

Last Updated: 09/26/2026