Alessio Lodola - researchr alias

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Viewing Publication 1 - 11 from 11

2023

Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible AgentsKemel Arafet, Laura Scalvini, Francesca Galvani, Sergio Martí, Vicent Moliner, Marco Mor, Alessio Lodola. jcisd, 63(4):1301-1312, February 2023. [doi]

Unbinding Kinetics of Muscarinic M3 Receptor Antagonists Explained by Metadynamics SimulationsFrancesca Galvani, Daniele Pala, Alberto Cuzzolin, Laura Scalvini, Alessio Lodola, Marco Mor, Andrea Rizzi. jcisd, 63(9):2842-2856, May 2023. [doi]

Molecular Determinants of EphA2 and EphB2 Antagonism Enable the Design of Ligands with Improved SelectivityLorenzo 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. jcisd, 63(21):6900-6911, November 2023. [doi]

2022

Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin ReceptorsGian Marco Elisi, Laura Scalvini, Alessio Lodola, Marco Mor, Silvia Rivara. jcisd, 62(1):210-222, 2022. [doi]

Mechanistic Modeling of Monoglyceride Lipase Covalent Modification Elucidates the Role of Leaving Group Expulsion and Discriminates Inhibitors with High and Low PotencyFrancesca Galvani, Laura Scalvini, Silvia Rivara, Alessio Lodola, Marco Mor. jcisd, 62(11):2771-2787, 2022. [doi]

2017

2015

N-(4-Anilinoquinazolin-6-yl) AcrylamideLuigi Capoferri, Alessio Lodola, Silvia Rivara, Marco Mor. jcisd, 55(3):589-599, 2015. [doi]

2014

Combining Ligand- and Structure-Based Approaches for the Discovery of New Inhibitors of the EPHA2-ephrin-A1 InteractionDaniele Pala, Riccardo Castelli, Matteo Incerti, Simonetta Russo, Massimiliano Tognolini, Carmine Giorgio, Iftiin Hassan-Mohamed, Ilaria Zanotti, Federica Vacondio, Silvia Rivara, Marco Mor, Alessio Lodola. jcisd, 54(10):2621-2626, 2014. [doi]

2013

2 Melatonin Receptor: Influence of Template Choice and Structural RefinementDaniele Pala, Thijs Beuming, Woody Sherman, Alessio Lodola, Silvia Rivara, Marco Mor. jcisd, 53(4):821-835, 2013. [doi]

2008

Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on beta-lactamases from class AChristo Z. Christov, Tatyana G. Karabencheva, Alessio Lodola. CANDC, 32(3):167-175, 2008. [doi]

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