S. Kashif Sadiq, David W. Wright, Simon J. Watson, Stefan J. Zasada, Ileana Stoica, Peter V. Coveney. Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases. Journal of Chemical Information and Computer Sciences, 48(9):1909-1919, 2008. [doi]
Abstract is missing.