Force Field-Driven Backmapping for Multiscale Molecular Dynamics.
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DOI: 10.1021/acs.jctc.5c00677
Abstract: Molecular Dynamics (MD) is a powerful simulation technique for capturing the dynamics and equilibrium properties of molecular and macromolecular systems at atomic resolution. However, MD faces significant practical challenges due to the limited time and… read more here.
Keywords: molecular dynamics; driven backmapping; backmapping multiscale; field driven ... See more keywords