Inhibitor docking screened by the modified SAFE_p scoring function: Application to cyclic urea HIV-1 PR inhibitors. - Santiago Vilar; M. Carmen Villaverde; Fredy Sussman (J. Comput. Chem., 2007)

Prediction and analysis of binding affinities for chemically diverse HIV-1 PR inhibitors by the modified SAFE_p approach. - Miguel Arenas; M. Carmen Villaverde; Fredy Sussman (J. Comput. Chem., 2009)

Effect of pH and ligand charge state on BACE-1 fragment docking performance. - José L. Domínguez; M. Carmen Villaverde; Fredy Sussman (J. Comput. Aided Mol. Des., 2013)

Computer-Aided Structure-Based Design of Multitarget Leads for Alzheimer's Disease. - José L. Domínguez; Fernando Fernández-Nieto; Marian Castro; Marco Catto; M. Rita Paleo; Silvia Porto; Francisco Javier Sardina; José M. Brea; Angelo Carotti; M. Carmen Villaverde; Fredy Sussman (J. Chem. Inf. Model., 2015)