Alessandra Magistrato

19 papers Journal 19
YearRankTypeTitle / Venue / Authors
2026 J jnl
Combined All-Atom Simulations and Biophysical Assays Uncover Loop-Driven Stabilization in the HRAS i-motif.
J. Chem. Inf. Model.
Alhadji Malloum, Valentina Arciuolo, Pavlína Pokorná, Luca Grisanti, Bruno Pagano, Jussara Amato, Alessandra Magistrato
2026 J jnl
Current Status of Molecular Dynamics Simulations of Membrane Permeabilization by Antimicrobial Peptides and Pore-Forming Proteins: A Review.
J. Chem. Inf. Model.
Sofia Cresca, Jure Borisek, Alessandra Magistrato, Igor Krizaj
2024 J jnl
Assessing the Mechanism of Rac1b: An All-Atom Simulation Study of the Alternative Spliced Variant of Rac1 Small Rho GTPase.
J. Chem. Inf. Model.
Sofia Cresca, Angela Parise, Alessandra Magistrato
2023 J jnl
Assessing the Binding Mode of a Splicing Modulator Stimulating Pre-mRNA Binding to the Plastic U2AF2 Splicing Factor.
J. Chem. Inf. Model.
Riccardo Rozza, Pavel Janos, Alessandra Magistrato
2023 J jnl
Molecular Dynamics Simulations Elucidate the Molecular Basis of Pre-mRNA Translocation by the Prp2 Spliceosomal Helicase.
J. Chem. Inf. Model.
Sefora Naomi Agrò, Riccardo Rozza, Santiago Movilla, Jana Aupic, Alessandra Magistrato
2023 J jnl
Monovalent Ionic Atmosphere Modulates the Selection of Suboptimal RNA Sequences by Splicing Factors' RNA Recognition Motifs.
J. Chem. Inf. Model.
Riccardo Rozza, Pavel Janos, Alessandra Magistrato
2022 J jnl
All-Atom Simulations Elucidate the Impact of U2AF2 Cancer-Associated Mutations on Pre-mRNA Recognition.
J. Chem. Inf. Model.
Riccardo Rozza, Andrea Saltalamacchia, Clarissa Orrico, Pavel Janos, Alessandra Magistrato
2021 J jnl
All-Atom Simulations Uncover the Molecular Terms of the NKCC1 Transport Mechanism.
J. Chem. Inf. Model.
Pavel Janos, Alessandra Magistrato
2021 J jnl
Molecular Mechanisms of the Blockage of Glioblastoma Motility.
J. Chem. Inf. Model.
Jing Xu, Federica Simonelli, Xiaoyun Li, Angelo Spinello, Sara Laporte, Vincent Torre, Alessandra Magistrato
2020 J jnl
Exploiting Cryo-EM Structural Information and All-Atom Simulations To Decrypt the Molecular Mechanism of Splicing Modulators.
J. Chem. Inf. Model.
Jure Borisek, Andrea Saltalamacchia, Angelo Spinello, Alessandra Magistrato
2019 J jnl
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways?
J. Chem. Inf. Model.
Angelo Spinello, Elena Vecile, Antonio Abbate, Aldo Dobrina, Alessandra Magistrato
2019 J jnl
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme.
J. Chem. Inf. Model.
Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato
2015 J jnl
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.
Jacopo Sgrignani, Marcella Iannuzzi, Alessandra Magistrato
2014 J jnl
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.
Jacopo Sgrignani, Marta Bon, Giorgio Colombo, Alessandra Magistrato
2014 J jnl
Metadynamics Simulations Reveal a Na
PLoS Comput. Biol.
Ina Bisha, Alex Rodriguez, Alessandro Laio, Alessandra Magistrato
2013 J jnl
Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations.
J. Chem. Inf. Model.
Duvan Franco, Jacopo Sgrignani, Giovanni Bussi, Alessandra Magistrato
2012 J jnl
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.
Jacopo Sgrignani, Alessandra Magistrato
2012 J jnl
On the active site of mononuclear B1 metallo β-lactamases: a computational study.
J. Comput. Aided Mol. Des.
Jacopo Sgrignani, Alessandra Magistrato, Matteo Dal Peraro, Alejandro J. Vila, Paolo Carloni, Roberta Pierattelli
2008 J jnl
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.
J. Comput. Chem.
Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk, Michael L. Klein