Alessandra Magistrato

According to our database, Alessandra Magistrato authored at least 16 papers between 2008 and 2023.

Collaborative distances:

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

2023

Assessing the Binding Mode of a Splicing Modulator Stimulating Pre-mRNA Binding to the Plastic U2AF2 Splicing Factor.

Riccardo Rozza, Pavel Janos, Alessandra Magistrato

J. Chem. Inf. Model., December, 2023

Molecular Dynamics Simulations Elucidate the Molecular Basis of Pre-mRNA Translocation by the Prp2 Spliceosomal Helicase.

Sefora Naomi Agrò, Riccardo Rozza, Santiago Movilla, Jana Aupic, Alessandra Magistrato

J. Chem. Inf. Model., July, 2023

Monovalent Ionic Atmosphere Modulates the Selection of Suboptimal RNA Sequences by Splicing Factors' RNA Recognition Motifs.

Riccardo Rozza, Pavel Janos, Alessandra Magistrato

J. Chem. Inf. Model., May, 2023

2022

All-Atom Simulations Elucidate the Impact of U2AF2 Cancer-Associated Mutations on Pre-mRNA Recognition.

Riccardo Rozza, Andrea Saltalamacchia, Clarissa Orrico, Pavel Janos, Alessandra Magistrato

J. Chem. Inf. Model., 2022

2021

Molecular Mechanisms of the Blockage of Glioblastoma Motility.

Jing Xu, Federica Simonelli, Xiaoyun Li, Angelo Spinello, Sara Laporte, Vincent Torre, Alessandra Magistrato

J. Chem. Inf. Model., 2021

All-Atom Simulations Uncover the Molecular Terms of the NKCC1 Transport Mechanism.

Pavel Janos, Alessandra Magistrato

J. Chem. Inf. Model., 2021

2020

Exploiting Cryo-EM Structural Information and All-Atom Simulations To Decrypt the Molecular Mechanism of Splicing Modulators.

Jure Borisek, Andrea Saltalamacchia, Angelo Spinello, Alessandra Magistrato

J. Chem. Inf. Model., 2020

2019

How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways?

Angelo Spinello, Elena Vecile, Antonio Abbate, Aldo Dobrina, Alessandra Magistrato

J. Chem. Inf. Model., 2019

Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme.

Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato

J. Chem. Inf. Model., 2019

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

2014

Metadynamics Simulations Reveal a Na⁺ Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT.

Ina Bisha, Alex Rodriguez, Alessandro Laio, Alessandra Magistrato

PLoS Comput. Biol., 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

2008

Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.

Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk, Michael L. Klein

J. Comput. Chem., 2008