Marco Mor

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
JAK3 Inhibitors: Covalent and Noncovalent Interactions of a Cyanamide Group Investigated by Multiscale Free-Energy Simulations.
J. Chem. Inf. Model.
Laura Scalvini, Daniele Pala, Alberto Cuzzolin, Francesca Galvani, Alessio Lodola, Silvia Rivara, Marco Mor, Andrea Rizzi
2023 J jnl
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents.
J. Chem. Inf. Model.
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio Martí, Vicent Moliner, Marco Mor, Alessio Lodola
2023 J jnl
Molecular Determinants of EphA2 and EphB2 Antagonism Enable the Design of Ligands with Improved Selectivity.
J. Chem. Inf. Model.
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
2023 J jnl
Unbinding Kinetics of Muscarinic M3 Receptor Antagonists Explained by Metadynamics Simulations.
J. Chem. Inf. Model.
Francesca Galvani, Daniele Pala, Alberto Cuzzolin, Laura Scalvini, Alessio Lodola, Marco Mor, Andrea Rizzi
2022 J jnl
Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin Receptors.
J. Chem. Inf. Model.
Gian Marco Elisi, Laura Scalvini, Alessio Lodola, Marco Mor, Silvia Rivara
2022 J jnl
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.
Francesca Galvani, Laura Scalvini, Silvia Rivara, Alessio Lodola, Marco Mor
2017 J jnl
Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.
J. Chem. Inf. Model.
Donatella Callegari, Alessio Lodola, Daniele Pala, Silvia Rivara, Marco Mor, Andrea Rizzi, Anna Maria Capelli
2017 J jnl
Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.
J. Chem. Inf. Model.
Donatella Callegari, Alessio Lodola, Daniele Pala, Silvia Rivara, Marco Mor, Andrea Rizzi, Anna Maria Capelli
2015 J jnl
Quantum Mechanics/Molecular Mechanics Modeling of Covalent Addition between EGFR-Cysteine 797 and
J. Chem. Inf. Model.
Luigi Capoferri, Alessio Lodola, Silvia Rivara, Marco Mor
2014 J jnl
Combining Ligand- and Structure-Based Approaches for the Discovery of New Inhibitors of the EPHA2-ephrin-A1 Interaction.
J. Chem. Inf. Model.
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
2013 J jnl
Structure-Based Virtual Screening of MT
J. Chem. Inf. Model.
Daniele Pala, Thijs Beuming, Woody Sherman, Alessio Lodola, Silvia Rivara, Marco Mor