Hiraku Oshima

8PUBLICATIONS
18CO-AUTHORS
Bioinformatic methods developmentBiomolecular modelling and designComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Proteomics and intermolecular interactions (excl. medical proteomics)Structural biology (incl. macromolecular modelling)
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Publications (8)

|Jun 14, 2024
GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum Mechanics/Molecular Mechanics Models.

Jaewoon Jung, Kiyoshi Yagi, Cheng Tan

|May 31, 2022
Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions.

Hiraku Oshima, Yuji Sugita

|Jul 19, 2021
Optimized Hydrogen Mass Repartitioning Scheme Combined with Accurate Temperature/Pressure Evaluations for Thermodynamic and Kinetic Properties of Biological Systems.

Jaewoon Jung, Kento Kasahara, Chigusa Kobayashi

|Jul 03, 2021
Reduced efficacy of a Src kinase inhibitor in crowded protein solution.

Kento Kasahara, Suyong Re, Grzegorz Nawrocki

|Mar 17, 2021
Unraveling the Coupling between Conformational Changes and Ligand Binding in Ribose Binding Protein Using Multiscale Molecular Dynamics and Free-Energy Calculations.

Weitong Ren, Hisham M Dokainish, Ai Shinobu

|Oct 28, 2020
CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations.

Seonghoon Kim, Hiraku Oshima, Han Zhang

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Frequent Collaborators

8 joint publications

Yuji Sugita

2 joint publications

Suyong Re

2 joint publications

Takaharu Mori

2 joint publications

Chigusa Kobayashi