Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
optimization molecular-dynamics optimization-tools gromacs coarse-grained coarse-graining molecular-modeling bonded-terms bonded-parameters swarm-cg cg-model
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Updated
Aug 19, 2024 - Python