Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding. - Gabriele Costantino; Antonio Macchiarulo; Maxim Belenikin; Roberto Pellicciari (J. Comput. Aided Mol. Des., 2002)

Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses. - Antonio Macchiarulo; Gabriele Costantino; Mirco Meniconi; Karin Pleban; Gerhard F. Ecker; Daniele Bellocchi; Roberto Pellicciari (J. Chem. Inf. Model., 2004)

Pharmacophore model for bile acids recognition by the FPR receptor. - Cristina Ferrari; Antonio Macchiarulo; Gabriele Costantino; Roberto Pellicciari (J. Comput. Aided Mol. Des., 2006)

Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition. - Antonio Macchiarulo; Nicola Giacche; Andrea Carotti; Massimo Baroni; Gabriele Cruciani; Roberto Pellicciari (J. Chem. Inf. Model., 2008)

Molecular Field Analysis and 3D-Quantitative Structure-Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5. - Antonio Macchiarulo; Antimo Gioiello; Charles Thomas 003; Alberto Massarotti; Roberto Nuti; Emiliano Rosatelli; Paola Sabbatini; Kristina Schoonjans; Johan Auwerx; Roberto Pellicciari (J. Chem. Inf. Model., 2008)

Charting the Chemical Space of Target Sites: Insights into the Binding Modes of Amine and Amidine Groups. - Antonio Macchiarulo; Roberto Nuti; Gokcen Eren; Roberto Pellicciari (J. Chem. Inf. Model., 2009)

Insights into the binding mode and mechanism of action of some atypical retinoids as ligands of the small heterodimer partner (SHP). - Marco Cellanetti; Viswanath Gunda; Li Wang; Antonio Macchiarulo; Roberto Pellicciari (J. Comput. Aided Mol. Des., 2010)

Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target Interaction. - Cristina Dezi; Andrea Carotti; Matteo Magnani; Massimo Baroni; Alessandro Padova; Gabriele Cruciani; Antonio Macchiarulo; Roberto Pellicciari (J. Chem. Inf. Model., 2010)