A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challenge

Por Pal, Rajat Kumar, Haider, Kamran, Kaur, Divya, Flynn, William, Xia, Junchao, Levy, Ronald M, Taran, Tetiana, Wickstrom, Lauren, Kurtzman, Tom, Gallicchio, Emilio
Publicado no J Comput Aided Mol Des (2016)