Inhibitor docking screened by the modified SAFE_p scoring function: application to cyclic urea HIV-1 PR inhibitors.
Vilar S, Villaverde MC, Sussman F, J Comput Chem, 2007 Oct - link

Predicting the cell differentiation activity of 1 alpha,25-dihydroxyvitamin D3 side chain analogues from docking simulations.
Sussman F, Rumbo A, Villaverde MC, Mourino A, J Med Chem, 2004 Mar 25 - link