Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors

Vincent Zoete, Olivier Michielin, Martin Karplus. Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors. Journal of Computer-Aided Molecular Design, 17(12):861-880, 2003.

Abstract

Abstract is missing.