Conformational Free Energy Modeling of Druglike Molecules by Metadynamics in the WHIM Space

Vojtech Spiwok, Katarína Hlat-Glembová, Igor Tvaroska, Blanka Králová. Conformational Free Energy Modeling of Druglike Molecules by Metadynamics in the WHIM Space. Journal of Chemical Information and Computer Sciences, 52(3):804-813, 2012. [doi]

Abstract

Abstract is missing.