Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes.
McGovern SL, Shoichet BK, J Med Chem, 2003 Jul 3 - link

Lead discovery using molecular docking.
Shoichet BK, McGovern SL, Wei B, Irwin JJ, Curr Opin Chem Biol, 2002 Aug - link

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.
Doman TN, McGovern SL, Witherbee BJ, Kasten TP, Kurumbail R, Stallings WC, Connolly DT, Shoichet BK, J Med Chem, 2002 May 23 - link