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2020 – today
- 2023
[j4]Kemel Arafet
, Laura Scalvini, Francesca Galvani, Sergio Martí, Vicent Moliner, Marco Mor, Alessio Lodola:
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. J. Chem. Inf. Model. 63(4): 1301-1312 (2023)- [j3]Francesca Galvani, Daniele Pala, Alberto Cuzzolin, Laura Scalvini, Alessio Lodola, Marco Mor, Andrea Rizzi:
Unbinding Kinetics of Muscarinic M3 Receptor Antagonists Explained by Metadynamics Simulations. J. Chem. Inf. Model. 63(9): 2842-2856 (2023) - [j2]Lorenzo Guidetti, Alfonso Zappia, Laura Scalvini, Francesca Romana Ferrari, Carmine Giorgio, Riccardo Castelli, Francesca Galvani, Federica Vacondio, Silvia Rivara, Marco Mor, Chiara Urbinati, Marco Rusnati, Massimiliano Tognolini, Alessio Lodola:
Molecular Determinants of EphA2 and EphB2 Antagonism Enable the Design of Ligands with Improved Selectivity. J. Chem. Inf. Model. 63(21): 6900-6911 (2023) - 2022
- [j1]Francesca Galvani, Laura Scalvini, Silvia Rivara, Alessio Lodola, Marco Mor:
Mechanistic Modeling of Monoglyceride Lipase Covalent Modification Elucidates the Role of Leaving Group Expulsion and Discriminates Inhibitors with High and Low Potency. J. Chem. Inf. Model. 62(11): 2771-2787 (2022)
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