Pharmacophore modeling and molecular docking led to the discovery of inhibitors of human immunodeficiency virus-1 replication targeting the human cellular aspartic acid-glutamic acid-alanine-aspartic acid box polypeptide 3.
Maga G, Falchi F, Garbelli A, Belfiore A, Witvrouw M, Manetti F, Botta M, J Med Chem, 2008 Nov 13 - link

Synthesis, biological evaluation and docking studies of 4-amino substituted 1H-pyrazolo[3,4-d]pyrimidines.
Schenone S, Brullo C, Bruno O, Bondavalli F, Mosti L, Maga G, Crespan E, Carraro F, Manetti F, Tintori C, Botta M, Eur J Med Chem, 2008 Dec - link

Arylthiopyrrole (AThP) derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors: synthesis, structure-activity relationships, and docking studies (part 2).
Lavecchia A, Costi R, Artico M, Miele G, Novellino E, Bergamini A, Crespan E, Maga G, Di Santo R, ChemMedChem, 2006 Dec - link

Arylthiopyrrole (AThP) derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors: synthesis, structure-activity relationships, and docking studies (part 1).
Di Santo R, Costi R, Artico M, Miele G, Lavecchia A, Novellino E, Bergamini A, Cancio R, Maga G, ChemMedChem, 2006 Dec - link

A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors.
Manetti F, Locatelli GA, Maga G, Schenone S, Modugno M, Forli S, Corelli F, Botta M, J Med Chem, 2006 Jun 1 - link