Evolution of Alchemical Free Energy Methods in Drug Discovery
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DOI: 10.1021/acs.jcim.0c00547
Abstract: The goal of the present manuscript is to succinctly trace the key technological steps in the evolution of alchemical free energy methods (AFEMs) from a purely theoretical construct to a method that is now widely… read more here.
Keywords: energy methods; energy; alchemical free; drug ... See more keywords