MMsINC®: A New Public Large-Scale Chemoinformatics Database System. - Marco Fanton; Matteo Floris; Gianfranco Frau; Mattia Sturlese; Joel Masciocchi; Piergiorgio Palla; Fabian Cedrati; Patricia Rodriguez-Tomé; Stefano Moro (BIOTECHNO, 2008)

MMsINC: a large-scale chemoinformatics database. - Joel Masciocchi; Gianfranco Frau; Marco Fanton; Mattia Sturlese; Matteo Floris; Luca Pireddu; Piergiorgio Palla; Fabian Cedrati; Patricia Rodriguez-Tomé; Stefano Moro (Nucleic Acids Res., 2009)

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015. - Veronica Salmaso; Mattia Sturlese; Alberto Cuzzolin; Stefano Moro (J. Comput. Aided Mol. Des., 2016)

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations. - Alberto Cuzzolin; Mattia Sturlese; Giuseppe Deganutti; Veronica Salmaso; Davide Sabbadin; Antonella Ciancetta; Stefano Moro (J. Chem. Inf. Model., 2016)

Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2. - Veronica Salmaso; Mattia Sturlese; Alberto Cuzzolin; Stefano Moro (J. Comput. Aided Mol. Des., 2018)

Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations. - Matteo Pavan; Silvia Menin; Davide Bassani; Mattia Sturlese; Stefano Moro (J. Chem. Inf. Model., 2022)

Fighting Antimicrobial Resistance: Insights on How the Staphylococcus aureus NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations. - Deborah Palazzotti; Tommaso Felicetti; Stefano Sabatini; Stefano Moro; Maria Letizia Barreca; Mattia Sturlese; Andrea Astolfi (J. Chem. Inf. Model., 2023)

Pliability in the m6A-Binding Region Extends Druggability of YTH Domains. - Giulia Cazzanelli; Andrea Dalle Vedove; Giovanni Spagnolli; Luca Terruzzi; Enrica Colasurdo; Alberto Boldrini; Alexandros Patsilinakos; Mattia Sturlese; Alessandro Grottesi; Emiliano Biasini; Alessandro Provenzani; Alessandro Quattrone; et al. (J. Chem. Inf. Model., 2024)

Post-Docking Refinement of Peptide or Protein-RNA Complexes Using Thermal Titration Molecular Dynamics (TTMD): A Stability Insight. - Andrea Dodaro; Gianluca Novello; Silvia Menin; Chiara Cavastracci Strascia; Mattia Sturlese; Veronica Salmaso; Stefano Moro (J. Chem. Inf. Model., 2025)

Thermal Titration Molecular Dynamics: The Revenge of the Fragments. - Matteo Pavan; Silvia Menin; Andrea Dodaro; Gianluca Novello; Chiara Cavastracci Strascia; Mattia Sturlese; Veronica Salmaso; Stefano Moro (J. Chem. Inf. Model., 2025)