https://ronlevygroup.cst.temple.edu/media/pdf/publications/2002.JCC.23.517-529.pdf
Received 6 July 2001; Accepted 6 November 2001 Abstract: The development and parameterization of a solvent potential of mean force designed to reproduce the hydration thermodynamics of small molecules and macromolecules aimed toward applications in conformation predic-tion and ligand binding free energy prediction is presented. The model, named SGB/NP, is based on a parameterization of the ...