Prediction of protein-ligand interactions. Docking and scoring: successes and gaps.
Leach AR, Shoichet BK, Peishoff CE, J Med Chem, 2006 Oct 5 - link

Ligand solvation in molecular docking.
Shoichet BK, Leach AR, Kuntz ID, Proteins, 1999 Jan 1 - link

Development and validation of a genetic algorithm for flexible docking.
Jones G, Willett P, Glen RC, Leach AR, Taylor R, J Mol Biol, 1997 Apr 4 - link

Ligand docking to proteins with discrete side-chain flexibility.
Leach AR, J Mol Biol, 1994 Jan 7 - link