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Marco Mor
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2020 – today
- 2023
- [j10]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) - [j9]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) - [j8]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
- [j7]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) - [j6]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
- [j5]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) - [j4]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
- [j3]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
- [j2]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
- [j1]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)
Coauthor Index
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