Jacopo Sgrignani

According to our database, Jacopo Sgrignani authored at least 9 papers between 2009 and 2016.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2016

Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors.

Jacopo Sgrignani, Filomena De Luca, Hayarpi Torosyan, Jean-Denis Docquier, Da Duan, Beatrice Novati, Fabio Prati, Giorgio Colombo, Giovanni Grazioso

J. Comput. Aided Mol. Des., 2016

2015

Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations.

Jacopo Sgrignani, Marcella Iannuzzi, Alessandra Magistrato

J. Chem. Inf. Model., 2015

Allosteric Modulation of Alpha7 Nicotinic Receptors: Mechanistic Insight through Metadynamics and Essential Dynamics.

Giovanni Grazioso, Jacopo Sgrignani, Romina Capelli, Carlo Matera, Clelia Dallanoce, Marco De Amici, Andrea Cavalli

J. Chem. Inf. Model., 2015

Covalent docking of selected boron-based serine beta-lactamase inhibitors.

Jacopo Sgrignani, Beatrice Novati, Giorgio Colombo, Giovanni Grazioso

J. Comput. Aided Mol. Des., 2015

2014

Computational Approaches Elucidate the Allosteric Mechanism of Human Aromatase Inhibition: A Novel Possible Route to Small-Molecule Regulation of CYP450s Activities?

Jacopo Sgrignani, Marta Bon, Giorgio Colombo, Alessandra Magistrato

J. Chem. Inf. Model., 2014

2013

Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations.

Duvan Franco, Jacopo Sgrignani, Giovanni Bussi, Alessandra Magistrato

J. Chem. Inf. Model., 2013

2012

Influence of the Membrane Lipophilic Environment on the Structure and on the Substrate Access/Egress Routes of the Human Aromatase Enzyme. A Computational Study.

Jacopo Sgrignani, Alessandra Magistrato

J. Chem. Inf. Model., 2012

On the active site of mononuclear B1 metallo β-lactamases: a computational study.

Jacopo Sgrignani, Alessandra Magistrato, Matteo Dal Peraro, Alejandro J. Vila, Paolo Carloni, Roberta Pierattelli

J. Comput. Aided Mol. Des., 2012

2009

Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations.

Jacopo Sgrignani, Claudia Bonaccini, Giovanni Grazioso, Matteo Chioccioli, Andrea Cavalli, Paola Gratteri

J. Comput. Chem., 2009