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...

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Détails bibliographiques
Auteurs principaux: Cheng Tan, Jaewoon Jung, Chigusa Kobayashi, Diego Ugarte La Torre, Shoji Takada, Yuji Sugita
Format: Article
Langue:English
Publié: Public Library of Science (PLoS) 2022-04-01
Collection:PLoS Computational Biology
Accès en ligne:https://doi.org/10.1371/journal.pcbi.1009578