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List of works by Chigusa Kobayashi

A singularity-free torsion angle potential for coarse-grained molecular dynamics simulations

scientific article published on 01 July 2020

Anharmonic Vibrational Analysis of Biomolecules and Solvated Molecules Using Hybrid QM/MM Computations

article

GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms.

scientific article

Implementation of residue-level coarse-grained models in GENESIS for large-scale molecular dynamics simulations

scientific article published on 05 April 2022

New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems

scientific article published on 16 November 2020

Optimal Temperature Evaluation in Molecular Dynamics Simulations with a Large Time Step

article

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

scientific article published on 17 July 2021

Scaling molecular dynamics beyond 100,000 processor cores for large-scale biophysical simulations

scientific article published on 17 April 2019

The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein

scientific article published on 24 March 2022

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