Implementation of residue-level coarse-grained models in GENESIS for large-scale molecular dynamics simulations
C. Tan, J. Jung, C. Kobayashi, D. Ugarte La Torre, S. Takada, Y. Sugita
The paper implements residue-level coarse-grained models in GENESIS to enable large-scale molecular dynamics simulations of biomolecules, improving computational efficiency and handling heterogeneous systems.
PLOS Computational Biology · Apr 5, 2022Peer-reviewedBiophysics