Preserving the Integrity of Empirical Force Fields
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00615
Abstract: Generalized force fields (FFs) act as extensions to biomolecular FFs to provide a wide coverage of organic molecules. However, their precise application to an arbitrary molecule presents a separate challenge. We show that MATCH assigns… read more here.
Keywords: integrity empirical; force fields; preserving integrity; force ... See more keywords