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Hiraku Oshima

RIKEN Center for Biosystems Dynamics Research

H指数:21

被引数:1,185

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Bidirectional Regulation of KEAP1 BTB Domain-based Sensor Activity

KEAP1 BTB结构域介导的传感活性的双向调控

IF11.9

2025-10-080

OAAI

Allosteric changes in the conformational landscape of Src kinase upon substrate binding

Src激酶在底物结合后构象景观的别构变化

Journal of Molecular Biology

IF4.5

2024-11-190

OAAI

Modified Protein-Water Interactions in CHARMM36m for Thermodynamics and Kinetics of Proteins in Dilute and Crowded Solutions

IF4.6

2022-09-059

OAAI

Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-05-317

OAAI

Optimized Hydrogen Mass Repartitioning Scheme Combined with Accurate Temperature/Pressure Evaluations for Thermodynamic and Kinetic Properties of Biological Systems

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-07-1724

OAAI

Reduced efficacy of a Src kinase inhibitor in crowded protein solution

Src激酶抑制剂在拥挤的蛋白质溶液中的功效降低

NATURE COMMUNICATIONS

IF15.7

2021-07-0223

OAAI

CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-10-2877

OAAI

Prediction of Protein-Ligand Binding Pose and Affinity Using the gREST plus FEP Method

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-07-3130

PREAI

Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-09-2063

OAAI

Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2019-08-2637

OAAI

De Novo Prediction of Binders and Nonbinders for T4 Lysozyme by gREST Simulations

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-08-0722

PREAI

Population Shift Mechanism for Partial Agonism of AMPA Receptor

BIOPHYSICAL JOURNAL

IF3.1

2019-01-013

OAAI

Statistical Thermodynamics for Actin-Myosin Binding: The Crucial Importance of Hydration Effects

BIOPHYSICAL JOURNAL

IF3.1

2016-06-0113

OAAI

Essential Roles of Water in Actin-Myosin Binding

BIOPHYSICAL JOURNAL

IF3.1

2016-02-011

OAAI

A Highly Efficient Hybrid Method for Calculating the Hydration Free Energy of a Protein

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2015-11-175

PREAI

On the physics of thermal-stability changes upon mutations of a protein

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-09-3013

OAAI

Essential roles of protein-solvent many-body correlation in solvent-entropy effect on protein folding and denaturation: Comparison between hard-sphere solvent and water

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-04-1051

OAAI

Theoretical Prediction of Thermal-Stability Changes upon Mutations of a Protein

BIOPHYSICAL JOURNAL

IF3.1

2015-01-010

PREAI

Statistical Thermodynamics of One-To-Many Molecular Recognition Accompanied by Partner-Dependent Folding: In the Case of a Tumor Suppressor Protein p53

BIOPHYSICAL JOURNAL

IF3.1

2015-01-010

OAAI

Physical Picture for Functionally Rotating Mechanism of the Multidrug Efflux Transporter AcrB

BIOPHYSICAL JOURNAL

IF3.1

2015-01-010

OAAI