Development of Quantitative Structure-Property Relationships Using Calculated Descriptors for the Prediction of the Physicochemical Properties (nD, , bp, , ) of a Series of Organic Solvents. - Marina Cocchi; Pier Giuseppe De Benedetti; Renato Seeber; Lorenzo Tassi; Alessandro Ulrici (J. Chem. Inf. Comput. Sci., 1999)

Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4. - Francesca De Rienzo; Francesca Fanelli; Maria Cristina Menziani; Pier Giuseppe De Benedetti (J. Comput. Aided Mol. Des., 2000)

Molecular Dynamics Simulations of the Ligand-Induced Chemical Information Transfer in the 5-HT1A Receptor. - Michele Seeber; Pier Giuseppe De Benedetti; Francesca Fanelli (J. Chem. Inf. Comput. Sci., 2003)

Probing Fragment Complementation by Rigid-Body Docking: in Silico Reconstitution of Calbindin D9k. - Daniele Dell'Orco; Michele Seeber; Pier Giuseppe De Benedetti; Francesca Fanelli (J. Chem. Inf. Model., 2005)

Inactive and active states and supramolecular organization of GPCRs: insights from computational modeling. - Francesca Fanelli; Pier Giuseppe De Benedetti (J. Comput. Aided Mol. Des., 2006)

Quantitative structure-activity relationship analysis of canonical inhibitors of serine proteases. - Daniele Dell'Orco; Pier Giuseppe De Benedetti (J. Comput. Aided Mol. Des., 2008)