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Silvia Rivara
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2020 – today
- 2023
- [j8]Lorenzo Guidetti
, Alfonso Zappia
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
Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin Receptors. J. Chem. Inf. Model. 62(1): 210-222 (2022) - [j6]Francesca Galvani
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
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
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
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
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
Structure-Based Virtual Screening of MT2 Melatonin Receptor: Influence of Template Choice and Structural Refinement. J. Chem. Inf. Model. 53(4): 821-835 (2013)
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