MM-GB/SA rescoring of docking poses in structure-based lead optimization.
Guimaraes CR, Cardozo M, J Chem Inf Model, 2008 May - link

Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring.
Barreiro G, Guimaraes CR, Tubert-Brohman I, Lyons TM, Tirado-Rives J, Jorgensen WL, J Chem Inf Model, 2007 Nov-Dec - link

From docking false-positive to active anti-HIV agent.
Barreiro G, Kim JT, Guimaraes CR, Bailey CM, Domaoal RA, Wang L, Anderson KS, Jorgensen WL, J Med Chem, 2007 Nov 1 - link