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Sandro Cosconati
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2020 – today
- 2024
- [j7]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) - [j6]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:
Discovering Dually Active Anti-cancer Compounds with a Hybrid AI-structure-based Approach. J. Chem. Inf. Model. 64(21): 8299-8309 (2024) - 2023
- [c1]Dario Branco, Beniamino Di Martino, Sandro Cosconati, Dieter Kranzlmüller, Salvatore D'Angelo:
Towards a Parallel Graph Approach to Drug Discovery. AINA (3) 2023: 127-135 - 2021
- [j5]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) - [j4]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) - [j3]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)
2010 – 2019
- 2013
- [j2]Magdalena Bacilieri, Antonella Ciancetta, Silvia Paoletta, Stephanie Federico, Sandro Cosconati, Barbara Cacciari, Sabrina Taliani, Federico Da Settimo, Ettore Novellino, Karl Norbert Klotz, Giampiero Spalluto, Stefano Moro:
Revisiting a Receptor-Based Pharmacophore Hypothesis for Human A2A Adenosine Receptor Antagonists. J. Chem. Inf. Model. 53(7): 1620-1637 (2013) - 2012
- [j1]Sandro Cosconati, Luciana Marinelli, Francesco Saverio Di Leva, Valeria La Pietra, Angela De Simone, Francesca Mancini, Vincenza Andrisano, Ettore Novellino, David S. Goodsell, Arthur J. Olson:
Protein Flexibility in Virtual Screening: The BACE-1 Case Study. J. Chem. Inf. Model. 52(10): 2697-2704 (2012)
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