Alternative Quality Assessment Strategy to Compare Performances of GPCR-Ligand Docking Protocols: The Human Adenosine A2A Receptor as a Case Study. - Antonella Ciancetta; Alberto Cuzzolin; Stefano Moro (J. Chem. Inf. Model., 2014)

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)

PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks. - José Jiménez; Davide Sabbadin; Alberto Cuzzolin; Gerard Martínez-Rosell; Jacob Gora; John Manchester; José S. Duca; Gianni De Fabritiis (J. Chem. Inf. Model., 2019)

SkeleDock: A Web Application for Scaffold Docking in PlayMolecule. - Alejandro Varela-Rial; Maciej Majewski; Alberto Cuzzolin; Gerard Martínez-Rosell; Gianni De Fabritiis (J. Chem. Inf. Model., 2020)

Unbinding Kinetics of Muscarinic M3 Receptor Antagonists Explained by Metadynamics Simulations. - Francesca Galvani; Daniele Pala; Alberto Cuzzolin; Laura Scalvini; Alessio Lodola; Marco Mor; Andrea Rizzi (J. Chem. Inf. Model., 2023)

JAK3 Inhibitors: Covalent and Noncovalent Interactions of a Cyanamide Group Investigated by Multiscale Free-Energy Simulations. - Laura Scalvini; Daniele Pala; Alberto Cuzzolin; Francesca Galvani; Alessio Lodola; Silvia Rivara; Marco Mor; Andrea Rizzi (J. Chem. Inf. Model., 2025)