PyRMD: A New Fully Automated AI-Powered Ligand-Based Virtual Screening Tool. - Giorgio Amendola; Sandro Cosconati (J. Chem. Inf. Model., 2021)

Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening. - Giorgio Amendola; Roberta Ettari; Santo Previti; Carla Di Chio; Anna Messere; Salvatore Di Maro; Stefan J. Hammerschmidt; Collin Zimmer; Robert A. Zimmermann; Tanja Schirmeister; Maria Zappalà; Sandro Cosconati (J. Chem. Inf. Model., 2021)

FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations. - Stamatia Zavitsanou; Alexandros Tsengenes; Michail Papadourakis; Giorgio Amendola; Alexios Chatzigoulas; Dimitris Dellis; Sandro Cosconati; Zoe Cournia (J. Chem. Inf. Model., 2021)

Discovering Dually Active Anti-cancer Compounds with a Hybrid AI-structure-based Approach. - Michele Roggia; Benito Natale; Giorgio Amendola; Nicola Grasso; Salvatore Di Maro; Sabrina Taliani; Sabrina Castellano; Serena Concetta Rita Reina; Erica Salvati; Jussara Amato; Sandro Cosconati (J. Chem. Inf. Model., 2024)

Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach. - Michele Roggia; Benito Natale; Giorgio Amendola; Salvatore Di Maro; Sandro Cosconati (J. Chem. Inf. Model., 2024)