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2020 – today
- 2024
[j4]Michele Roggia
, Benito Natale, Giorgio Amendola, Salvatore Di Maro, Sandro Cosconati:
Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach. J. Chem. Inf. Model. 64(7): 2143-2149 (2024)- 2021
- [j3]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:
Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening. J. Chem. Inf. Model. 61(4): 2062-2073 (2021) - [j2]Giorgio Amendola, Sandro Cosconati:
PyRMD: A New Fully Automated AI-Powered Ligand-Based Virtual Screening Tool. J. Chem. Inf. Model. 61(8): 3835-3845 (2021) - [j1]Stamatia Zavitsanou, Alexandros Tsengenes, Michail Papadourakis, Giorgio Amendola, Alexios Chatzigoulas, Dimitris Dellis, Sandro Cosconati, Zoe Cournia:
FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations. J. Chem. Inf. Model. 61(9): 4131-4138 (2021)
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