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2020 – today
- 2023
[j11]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)- [j10]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) - [j9]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
- [j8]Gian Marco Elisi, Laura Scalvini, Alessio Lodola, Marco Mor, Silvia Rivara:
Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin Receptors. J. Chem. Inf. Model. 62(1): 210-222 (2022) - [j7]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)
2010 – 2019
- 2017
- [j6]Donatella Callegari, Alessio Lodola, Daniele Pala, Silvia Rivara, Marco Mor, Andrea Rizzi, Anna Maria Capelli:
Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8. J. Chem. Inf. Model. 57(2): 159-169 (2017) - [j5]Donatella Callegari, Alessio Lodola, Daniele Pala, Silvia Rivara, Marco Mor, Andrea Rizzi, Anna Maria Capelli:
Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8. J. Chem. Inf. Model. 57(2): 386 (2017) - 2015
- [j4]Luigi Capoferri, Alessio Lodola, Silvia Rivara, Marco Mor:
Quantum Mechanics/Molecular Mechanics Modeling of Covalent Addition between EGFR-Cysteine 797 and N-(4-Anilinoquinazolin-6-yl) Acrylamide. J. Chem. Inf. Model. 55(3): 589-599 (2015) - 2014
- [j3]Daniele Pala, Riccardo Castelli, Matteo Incerti, Simonetta Russo, Massimiliano Tognolini, Carmine Giorgio, Iftiin Hassan-Mohamed, Ilaria Zanotti, Federica Vacondio, Silvia Rivara, Marco Mor, Alessio Lodola:
Combining Ligand- and Structure-Based Approaches for the Discovery of New Inhibitors of the EPHA2-ephrin-A1 Interaction. J. Chem. Inf. Model. 54(10): 2621-2626 (2014) - 2013
- [j2]Daniele Pala, Thijs Beuming, Woody Sherman, Alessio Lodola, Silvia Rivara, Marco Mor:
Structure-Based Virtual Screening of MT2 Melatonin Receptor: Influence of Template Choice and Structural Refinement. J. Chem. Inf. Model. 53(4): 821-835 (2013)
2000 – 2009
- 2008
- [j1]Christo Z. Christov, Tatyana G. Karabencheva, Alessio Lodola:
Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on beta-lactamases from class A. Comput. Biol. Chem. 32(3): 167-175 (2008)
Coauthor Index
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