Alessandra Magistrato

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 10

Top Topics

Molecular Mechanisms

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Riccardo Rozza, Pavel Janos, Alessandra Magistrato
Assessing the Binding Mode of a Splicing Modulator Stimulating Pre-mRNA Binding to the Plastic U2AF2 Splicing Factor. J. Chem. Inf. Model. 63 (23) (2023)
Riccardo Rozza, Pavel Janos, Alessandra Magistrato
Monovalent Ionic Atmosphere Modulates the Selection of Suboptimal RNA Sequences by Splicing Factors' RNA Recognition Motifs. J. Chem. Inf. Model. 63 (10) (2023)
Sefora Naomi Agrò, Riccardo Rozza, Santiago Movilla, Jana Aupic, Alessandra Magistrato
Molecular Dynamics Simulations Elucidate the Molecular Basis of Pre-mRNA Translocation by the Prp2 Spliceosomal Helicase. J. Chem. Inf. Model. 63 (13) (2023)
Riccardo Rozza, Andrea Saltalamacchia, Clarissa Orrico, Pavel Janos, Alessandra Magistrato
All-Atom Simulations Elucidate the Impact of U2AF2 Cancer-Associated Mutations on Pre-mRNA Recognition. J. Chem. Inf. Model. 62 (24) (2022)
Pavel Janos, Alessandra Magistrato
All-Atom Simulations Uncover the Molecular Terms of the NKCC1 Transport Mechanism. J. Chem. Inf. Model. 61 (7) (2021)
Jing Xu, Federica Simonelli, Xiaoyun Li, Angelo Spinello, Sara Laporte, Vincent Torre, Alessandra Magistrato
Molecular Mechanisms of the Blockage of Glioblastoma Motility. J. Chem. Inf. Model. 61 (6) (2021)
Jure Borisek, Andrea Saltalamacchia, Angelo Spinello, Alessandra Magistrato
Exploiting Cryo-EM Structural Information and All-Atom Simulations To Decrypt the Molecular Mechanism of Splicing Modulators. J. Chem. Inf. Model. 60 (5) (2020)
Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme. J. Chem. Inf. Model. 59 (6) (2019)
Angelo Spinello, Elena Vecile, Antonio Abbate, Aldo Dobrina, Alessandra Magistrato
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways? J. Chem. Inf. Model. 59 (1) (2019)
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)
Ina Bisha, Alex Rodriguez, Alessandro Laio, Alessandra Magistrato
Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT. PLoS Comput. Biol. 10 (12) (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)
Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk, Michael L. Klein
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure. J. Comput. Chem. 29 (1) (2008)