Hiraku Oshima

机构：University of Hyogo · ORCID：0000-0001-5626-1291

发表论文 92 篇 · 总被引 1183 次 · h-index 20

代表论文

CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations (2020 · Journal of Chemical Theory and Computation · 被引 105)
Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules (2019 · Journal of Chemical Theory and Computation · 被引 92)
Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape (2019 · Proceedings of the National Academy of Sciences · 被引 65)
Optimized Hydrogen Mass Repartitioning Scheme Combined with Accurate Temperature/Pressure Evaluations for Thermodynamic and Kinetic Properties of Biological Systems (2021 · Journal of Chemical Theory and Computation · 被引 47)
Prediction of Protein–Ligand Binding Pose and Affinity Using the gREST+FEP Method (2020 · Journal of Chemical Information and Modeling · 被引 47)
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 (2024 · The Journal of Physical Chemistry B · 被引 43)