A molecular model for the active site of S-adenosyl-l-homocysteine hydrolase. - Jerry C. Yeh; Ronald T. Borchardt; Angelo Vedani (J. Comput. Aided Mol. Des., 1991)

Combining 4D Pharmacophore Generation and Multidimensional QSAR: Modeling Ligand Binding to the Bradykinin B2 Receptor. - Markus A. Lill; Angelo Vedani (J. Chem. Inf. Model., 2006)

AcquaAlta: A Directional Approach to the Solvation of Ligand-Protein Complexes. - Gianluca Rossato; Beat Ernst; Angelo Vedani; Martin Smiesko (J. Chem. Inf. Model., 2011)

Exploring the free-energy landscape of carbohydrate-protein complexes: development and validation of scoring functions considering the binding-site topology. - Sameh Eid; Noureldin Saleh; Adam Zalewski; Angelo Vedani (J. Comput. Aided Mol. Des., 2014)