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

, , , , , , , and . J. Comput. Chem., 38 (25): 2193-2206 (2017)

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GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms., , , , , , , and . J. Comput. Chem., 38 (25): 2193-2206 (2017)Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations., , , , , , , , , and 4 other author(s). J. Comput. Chem., 40 (21): 1919-1930 (2019)New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems., , , , , , , , , and 2 other author(s). J. Comput. Chem., 42 (4): 231-241 (2021)Acceleration of generalized replica exchange with solute tempering simulations of large biological systems on massively parallel supercomputer., , and . J. Comput. Chem., 44 (20): 1740-1749 (2023)Implementation of residue-level coarse-grained models in GENESIS for large-scale molecular dynamics simulations., , , , , and . PLoS Comput. Biol., (2022)Flexible fitting to cryo-EM density map using ensemble molecular dynamics simulations., , , , and . J. Comput. Chem., 38 (16): 1447-1461 (2017)Coarse-Grained Modeling of Multiple Pathways in Conformational Transitions of Multi-Domain Proteins., , , and . J. Chem. Inf. Model., 61 (5): 2427-2443 (2021)Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations., , , and . Comput. Phys. Commun., (2016)