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ORCIDJacopo Sgrignani
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Journal Articles
- 2016
[j9]Jacopo Sgrignani, Filomena De Luca, Hayarpi Torosyan
, Jean-Denis Docquier, Da Duan, Beatrice Novati, Fabio Prati, Giorgio Colombo, Giovanni Grazioso:
Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors. J. Comput. Aided Mol. Des. 30(10): 851-861 (2016)- 2015
- [j8]Jacopo Sgrignani, Beatrice Novati, Giorgio Colombo, Giovanni Grazioso:
Covalent docking of selected boron-based serine beta-lactamase inhibitors. J. Comput. Aided Mol. Des. 29(5): 441-450 (2015) - [j7]Jacopo Sgrignani, Marcella Iannuzzi, Alessandra Magistrato:
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations. J. Chem. Inf. Model. 55(10): 2218-2226 (2015) - [j6]Giovanni Grazioso, Jacopo Sgrignani, Romina Capelli, Carlo Matera, Clelia Dallanoce, Marco De Amici, Andrea Cavalli:
Allosteric Modulation of Alpha7 Nicotinic Receptors: Mechanistic Insight through Metadynamics and Essential Dynamics. J. Chem. Inf. Model. 55(12): 2528-2539 (2015) - 2014
- [j5]Jacopo Sgrignani, Marta Bon, Giorgio Colombo, Alessandra Magistrato:
Computational Approaches Elucidate the Allosteric Mechanism of Human Aromatase Inhibition: A Novel Possible Route to Small-Molecule Regulation of CYP450s Activities? J. Chem. Inf. Model. 54(10): 2856-2868 (2014) - 2013
- [j4]Duvan Franco, Jacopo Sgrignani, Giovanni Bussi, Alessandra Magistrato:
Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations. J. Chem. Inf. Model. 53(6): 1371-1387 (2013) - 2012
- [j3]Jacopo Sgrignani, Alessandra Magistrato, Matteo Dal Peraro, Alejandro J. Vila, Paolo Carloni, Roberta Pierattelli:
On the active site of mononuclear B1 metallo β-lactamases: a computational study. J. Comput. Aided Mol. Des. 26(4): 425-435 (2012) - [j2]Jacopo Sgrignani, Alessandra Magistrato:
Influence of the Membrane Lipophilic Environment on the Structure and on the Substrate Access/Egress Routes of the Human Aromatase Enzyme. A Computational Study. J. Chem. Inf. Model. 52(6): 1595-1606 (2012) - 2009
- [j1]Jacopo Sgrignani, Claudia Bonaccini, Giovanni Grazioso, Matteo Chioccioli, Andrea Cavalli, Paola Gratteri:
Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations. J. Comput. Chem. 30(15): 2443-2454 (2009)
Coauthor Index
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