Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA.
Wang J, Kang X, Kuntz ID, Kollman PA, J Med Chem, 2005 Apr 7 - link

Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA.
Wang J, Morin P, Wang W, Kollman PA, J Am Chem Soc, 2001 Jun 6 - link

Metabolism of sirolimus and its derivative everolimus by cytochrome P450 3A4: insights from docking, molecular dynamics, and quantum chemical calculations.
Kuhn B, Jacobsen W, Christians U, Benet LZ, Kollman PA, J Med Chem, 2001 Jun 7 - link

Flexible ligand docking: a multistep strategy approach.
Wang J, Kollman PA, Kuntz ID, Proteins, 1999 Jul 1 - link