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

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

Residue-level coarse-grained (CG) models have become one of the most popular tools in biomolecular simulations in the trade-off between modeling accuracy and computational efficiency. To investigate large-scale biological phenomena in molecular dynamics (MD) simulations with CG models, unified treat...

Full description

Bibliographic Details
Main Authors: Cheng Tan, Jaewoon Jung, Chigusa Kobayashi, Diego Ugarte La Torre, Shoji Takada, Yuji Sugita
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2022-04-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1009578

Similar Items

Similar Items