Journal of chemical theory and computation
Force Field-Driven Backmapping for Multiscale Molecular Dynamics.
Xu Guo, Andrew Abi-Mansour, Peter Ortoleva
Published: 202510.1021/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…
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