Deciphering common failures in molecular docking of ligand-protein complexes.
Verkhivker GM, Bouzida D, Gehlhaar DK, Rejto PA, Arthurs S, Colson AB, Freer ST, Larson V, Luty BA, Marrone T, Rose PW, J Comput Aided Mol Des, 2000 Nov - link

Exploring the energy landscapes of molecular recognition by a genetic algorithm: analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes.
Verkhivker GM, Rejto PA, Gehlhaar DK, Freer ST, Proteins, 1996 Jul - link

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming.
Gehlhaar DK, Verkhivker GM, Rejto PA, Sherman CJ, Fogel DB, Fogel LJ, Freer ST, Chem Biol, 1995 May - link