Jacopo Sgrignani

Publication Activity (10 Years)

Years Active: 2009-2016
Publications (10 Years): 1

Top Topics

Computational Approaches

Visual Recognition

Human Interaction

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

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) (2016)
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) (2015)
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) (2015)
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) (2015)
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) (2014)
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) (2013)
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) (2012)
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) (2012)
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) (2009)