Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series
Gussregen, Stefan, Matter, Hans, Hessler, Gerhard, Lionta, Evanthia, Heil, Jochen, Kast, Stefan M. M.Language:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.6b00765
Date:
May, 2017
File:
PDF, 3.56 MB
english, 2017