A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.
Rajat Kumar PalKamran HaiderDivya KaurWilliam F. FlynnJunchao XiaRonald M. LevyTetiana TaranLauren WickstromTom KurtzmanEmilio GallicchioPublished in: J. Comput. Aided Mol. Des. (2017)