Testing for physical validity in molecular simulations
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DOI: 10.1371/journal.pone.0202764
Abstract: Advances in recent years have made molecular dynamics (MD) and Monte Carlo (MC) simulations powerful tools in molecular-level research, allowing the prediction of experimental observables in the study of systems such as proteins, membranes, and… read more here.
Keywords: validation; molecular simulations; physical validity; testing physical ... See more keywords