Comparison of thermodynamic integration and Bennett's acceptance ratio for calculating relative protein-ligand binding free energies

Anita de Ruiter, Stefan Boresch, Chris Oostenbrink. Comparison of thermodynamic integration and Bennett's acceptance ratio for calculating relative protein-ligand binding free energies. Journal of Computational Chemistry, 34(12):1024-1034, 2013. [doi]

Abstract

Abstract is missing.