Stefan Güssregen, Hans Matter, Gerhard Hessler, Evanthia Lionta, Jochen Heil, Stefan M. Kast. Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series. Journal of Chemical Information and Computer Sciences, 57(7):1652-1666, July 2017. [doi]
Abstract is missing.