Hisashi Okumura
Orcid: 0000-0003-3912-5604
According to our database1,
Hisashi Okumura
authored at least 14 papers
between 2005 and 2023.
Collaborative distances:
Collaborative distances:
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Bibliography
2023
Ingenuity in performing replica permutation: How to order the state labels for improving sampling efficiency.
J. Comput. Chem., February, 2023
Effective mechanical potential of cell-cell interaction explains three-dimensional morphologies during early embryogenesis.
PLoS Comput. Biol., 2023
2022
Implementations of replica-permutation and replica sub-permutation methods into LAMMPS.
Comput. Phys. Commun., 2022
2021
Dimerization of α-Synuclein Fragments Studied by Isothermal-Isobaric Replica-Permutation Molecular Dynamics Simulation.
J. Chem. Inf. Model., 2021
2019
J. Comput. Chem., 2019
2016
Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: Combination of the density-functional tight-binding theory and particle mesh Ewald method.
J. Comput. Chem., 2016
2015
Simulated tempering based on global balance or detailed balance conditions: Suwa-Todo, heat bath, and Metropolis algorithms.
J. Comput. Chem., 2015
2014
Transformation between α-helix and β-sheet structures of one and two polyglutamine peptides in explicit water molecules by replica-exchange molecular dynamics simulations.
J. Comput. Chem., 2014
2013
On-the-fly reconstruction of free-energy profiles using logarithmic mean-force dynamics.
J. Comput. Chem., 2013
Hamiltonian replica-permutation method and its applications to an alanine dipeptide and amyloid-β(29-42) peptides.
J. Comput. Chem., 2013
Coulomb replica-exchange method: Handling electrostatic attractive and repulsive forces for biomolecules.
J. Comput. Chem., 2013
2010
Conformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting.
J. Comput. Chem., 2010
2006
J. Comput. Chem., 2006
2005
Comput. Phys. Commun., 2005