Combining docking and molecular dynamic simulations in drug design.
Alonso H, Bliznyuk AA, Gready JE, Med Res Rev, 2006 Sep - link

Identification and energetic ranking of possible docking sites for pterin on dihydrofolate reductase.
Bliznyuk AA, Gready JE, J Comput Aided Mol Des, 1998 Jul - link