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CNR National Research Council Italy: TRIESTE, IT

(IOM)
Employment
Source: Self-asserted source
Alessandra Magistrato

Education and qualifications (1)

ETH Zurich: Zurich, CH

1998-01-01 to present | Ph.D.
Education
Source: Self-asserted source
Alessandra Magistrato

Works (50 of 62)

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Page 1 of 2

Assessing the Mechanism of Rac1b: An All-Atom Simulation Study of the Alternative Spliced Variant of Rac1 Small Rho GTPase

Journal of Chemical Information and Modeling
2024-12-23 | Journal article
Contributors: Sofia Cresca; Angela Parise; Alessandra Magistrato
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Crossref

All-atom simulations elucidate the molecular mechanism underlying RNA-membrane interactions

2024-11-01 | Preprint
Contributors: Salvatore Di Marco; Jana Aupič; Giovanni Bussi; Alessandra Magistrato
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Crossref

Third Metal Ion Dictates the Catalytic Activity of the Two‐Metal‐Ion Pre‐Ribosomal RNA‐Processing Machinery

Angewandte Chemie
2024-10-24 | Journal article
Contributors: Jure Borišek; Jana Aupič; Alessandra Magistrato
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Crossref

Third Metal Ion Dictates the Catalytic Activity of the Two‐Metal‐Ion Pre‐Ribosomal RNA‐Processing Machinery

Angewandte Chemie International Edition
2024-10-24 | Journal article
Contributors: Jure Borišek; Jana Aupič; Alessandra Magistrato
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Crossref

Molecular dynamics simulations for the structure-based drug design: targeting small-GTPases proteins

Expert Opinion on Drug Discovery
2024-10-02 | Journal article
Contributors: Angela Parise; Sofia Cresca; Alessandra Magistrato
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Crossref

Predicting Conformational Ensembles of Intrinsically Disordered Proteins: From Molecular Dynamics to Machine Learning

The Journal of Physical Chemistry Letters
2024-08-15 | Journal article
Contributors: Jana Aupič; Pavlína Pokorná; Sharon Ruthstein; Alessandra Magistrato
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Crossref

Ensemble Refinement of mismodeled cryo-EM RNA Structures Using All-Atom Simulations

2024-07-24 | Preprint
Contributors: Elisa Posani; Pavel Janos; Daniel Haack; Navtej Toor; Massimiliano Bonomi; Alessandra Magistrato; Giovanni Bussi
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Crossref

Assessing the mechanism of fast‐cycling cancer‐associated mutations of Rac1 small Rho GTPase

Protein Science
2024-04 | Journal article
Contributors: Angela Parise; Alessandra Magistrato
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Crossref

Tracing Allostery in the Spliceosome Ski2-like RNA Helicase Brr2

The Journal of Physical Chemistry Letters
2024-04-04 | Journal article
Contributors: Francesco Guidarelli Mattioli; Andrea Saltalamacchia; Alessandra Magistrato
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Crossref

Frontiers and Challenges of Computing ncRNAs Biogenesis, Function and Modulation

Journal of Chemical Theory and Computation
2024-02-13 | Journal article
Contributors: Silvia Rinaldi; Elisabetta Moroni; Riccardo Rozza; Alessandra Magistrato
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Crossref

Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome

Nature Communications
2023-12-20 | Journal article
Contributors: Jana Aupič; Jure Borišek; Sebastian M. Fica; Wojciech P. Galej; Alessandra Magistrato
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Crossref

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

Journal of Chemical Information and Modeling
2023-12-11 | Journal article
Contributors: Riccardo Rozza; Pavel Janoš; Alessandra Magistrato
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Crossref

Exploring the Anticancer Activity of Tamoxifen-Based Metal Complexes Targeting Mitochondria

Journal of Medicinal Chemistry
2023-07-27 | Journal article
Contributors: Valeria Scalcon; Riccardo Bonsignore; Jana Aupič; Sophie R. Thomas; Alessandra Folda; Alexandra A. Heidecker; Alexander Pöthig; Alessandra Magistrato; Angela Casini; Maria Pia Rigobello
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Crossref

Cancer-Related Mutations Alter RNA-Driven Functional Cross-Talk Underlying Premature-Messenger RNA Recognition by Splicing Factor SF3b

The Journal of Physical Chemistry Letters
2023-07-13 | Journal article
Contributors: Angelo Spinello; Pavel Janos; Riccardo Rozza; Alessandra Magistrato
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Crossref

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

Journal of Chemical Information and Modeling
2023-07-10 | Journal article
Contributors: Sefora Naomi Agrò; Riccardo Rozza; Santiago Movilla; Jana Aupič; Alessandra Magistrato
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Crossref

Establishing the catalytic and regulatory mechanism of RNA‐based machineries

WIREs Computational Molecular Science
2023-05 | Journal article
Contributors: Jure Borišek; Jana Aupič; Alessandra Magistrato
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Crossref

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

Journal of Chemical Information and Modeling
2023-05-22 | Journal article
Contributors: Riccardo Rozza; Pavel Janoš; Alessandra Magistrato
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Crossref

Molecular Basis of RNA-Driven ATP Hydrolysis in DExH-Box Helicases

Journal of the American Chemical Society
2023-03-29 | Journal article
Contributors: Santiago Movilla; Maite Roca; Vicent Moliner; Alessandra Magistrato
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Crossref

Switching from Aromatase Inhibitors to Dual Targeting Flavonoid-Based Compounds for Breast Cancer Treatment

Molecules
2023-03-29 | Journal article
Contributors: Silvia Gobbi; Silvia Martini; Riccardo Rozza; Angelo Spinello; Jessica Caciolla; Angela Rampa; Federica Belluti; Nadia Zaffaroni; Alessandra Magistrato; Alessandra Bisi
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The conformational plasticity of the selectivity filter methionines controls the in-cell Cu(I) uptake through the CTR1 transporter

QRB Discovery
2022 | Journal article
Contributors: Pavel Janoš; Jana Aupič; Sharon Ruthstein; Alessandra Magistrato
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Crossref

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

Journal of Chemical Information and Modeling
2022-12-26 | Journal article
Contributors: Riccardo Rozza; Andrea Saltalamacchia; Clarissa Orrico; Pavel Janoš; Alessandra Magistrato
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Crossref

Role of Monovalent Ions in the NKCC1 Inhibition Mechanism Revealed through Molecular Simulations

International Journal of Molecular Sciences
2022-12-06 | Journal article
Contributors: Pavel Janoš; Alessandra Magistrato
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Intrinsically disordered ectodomain modulates ion permeation through a metal transporter

Proceedings of the National Academy of Sciences
2022-11-29 | Journal article
Contributors: Jana Aupič; Fabio Lapenta; Pavel Janoš; Alessandra Magistrato
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Crossref

Role of computational and structural biology in the development of small-molecule modulators of the spliceosome

Expert Opinion on Drug Discovery
2022-10-03 | Journal article
Contributors: Riccardo Rozza; Pavel Janoš; Angelo Spinello; Alessandra Magistrato
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Crossref

Molecular Basis of SARS-CoV-2 Nsp1-Induced Immune Translational Shutdown as Revealed by All-Atom Simulations

The Journal of Physical Chemistry Letters
2021-12-09 | Journal article
Contributors: Jure Borišek; Angelo Spinello; Alessandra Magistrato
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Crossref

The Conformational Plasticity of the Selectivity Filter Methionines Controls the In-Cell Cu(I) Uptake through the CTR1 transporter

2021-11-04 | Other
Contributors: Pavel Janoš; Jana Aupič; Sharon Ruthstein; Alessandra Magistrato
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Crossref

Investigating the Molecular Mechanism of H3B-8800: A Splicing Modulator Inducing Preferential Lethality in Spliceosome-Mutant Cancers

International Journal of Molecular Sciences
2021-10-18 | Journal article
Contributors: Angelo Spinello; Jure Borišek; Luca Malcovati; Alessandra Magistrato
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Spontaneous Production of Ultrastable Reactive Oxygen Species on Titanium Oxide Surfaces Modified with Organic Ligands

Advanced Materials Interfaces
2021-09 | Journal article
Contributors: Ida Ritacco; Claudio Imparato; Laura Falivene; Luigi Cavallo; Alessandra Magistrato; Lucia Caporaso; Matteo Farnesi Camellone; Antonio Aronne
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Crossref

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

Journal of Chemical Information and Modeling
2021-07-26 | Journal article
Contributors: Pavel Janoš; Alessandra Magistrato
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Crossref

Allosteric Cross-Talk among Spike’s Receptor-Binding Domain Mutations of the SARS-CoV-2 South African Variant Triggers an Effective Hijacking of Human Cell Receptor

The Journal of Physical Chemistry Letters
2021-07-01 | Journal article
Contributors: Angelo Spinello; Andrea Saltalamacchia; Jure Borišek; Alessandra Magistrato
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Crossref

Molecular Mechanisms of the Blockage of Glioblastoma Motility

Journal of Chemical Information and Modeling
2021-06-28 | Journal article
Contributors: Jing Xu; Federica Simonelli; Xiaoyun Li; Angelo Spinello; Sara Laporte; Vincent Torre; Alessandra Magistrato
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Crossref

Deciphering the Molecular Terms of Arp2/3 Allosteric Regulation from All-Atom Simulations and Dynamical Network Theory

The Journal of Physical Chemistry Letters
2021-06-10 | Journal article
Contributors: Sara Laporte; Alessandra Magistrato
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Crossref

All-atom Simulations Uncover the Molecular Terms of NKCC1 Transport Mechanism

2021-05-14 | Other
Contributors: Pavel Janoš; Alessandra Magistrato
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Allosteric Cross-Talk Among SARS-CoV-2 Spike’s Receptor-Binding Domain Mutations Triggers an Effective Hijacking of Human Cell Receptor

2021-04-30 | Preprint
Contributors: Angelo Spinello; Andrea Saltalamacchia; Jure Borišek; Alessandra Magistrato
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Crossref

Discovery of a natural cyan blue: A unique food-sourced anthocyanin could replace synthetic brilliant blue

Science Advances
2021-04-09 | Journal article
Contributors: Pamela R. Denish; Julie-Anne Fenger; Randall Powers; Gregory T. Sigurdson; Luca Grisanti; Kathryn G. Guggenheim; Sara Laporte; Julia Li; Tadao Kondo; Alessandra Magistrato et al.
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An Expanded Two-Zn2+-Ion Motif Orchestrates Pre-mRNA Maturation in the 3′-End Processing Endonuclease Machinery

ACS Catalysis
2021-04-02 | Journal article
Contributors: Jure Borišek; Alessandra Magistrato
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Crossref

Atomic-Level Mechanism of Pre-mRNA Splicing in Health and Disease

Accounts of Chemical Research
2021-01-05 | Journal article
Contributors: Jure Borišek; Lorenzo Casalino; Andrea Saltalamacchia; Suzanne G. Mays; Luca Malcovati; Alessandra Magistrato
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Crossref

Molecular Basis for Endocrine Disruption by Pesticides Targeting Aromatase and Estrogen Receptor

International Journal of Environmental Research and Public Health
2020-08-05 | Journal article
Contributors: Chao Zhang; Tiziana Schilirò; Marta Gea; Silvia Bianchi; Angelo Spinello; Alessandra Magistrato; Gianfranco Gilardi; Giovanna Di Nardo
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Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations

The Journal of Physical Chemistry Letters
2020-06-18 | Journal article
Contributors: Angelo Spinello; Andrea Saltalamacchia; Alessandra Magistrato
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Crossref

Cu(I) Controls Conformational States in Human Atox1 Metallochaperone: An EPR and Multiscale Simulation Study

The Journal of Physical Chemistry B
2020-06-04 | Journal article
Contributors: Ortal Perkal; Zena Qasem; Meital Turgeman; Renana Schwartz; Lada Gevorkyan-Airapetov; Matic Pavlin; Alessandra Magistrato; Dan Thomas Major; Sharon Ruthstein
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Crossref

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

Journal of Chemical Information and Modeling
2020-05-26 | Journal article
Contributors: Jure Borišek; Andrea Saltalamacchia; Angelo Spinello; Alessandra Magistrato
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Crossref

Targeting Orthosteric and Allosteric Pockets of Aromatase via Dual-Mode Novel Azole Inhibitors

ACS Medicinal Chemistry Letters
2020-05-14 | Journal article
Contributors: Jessica Caciolla; Angelo Spinello; Silvia Martini; Alessandra Bisi; Nadia Zaffaroni; Silvia Gobbi; Alessandra Magistrato
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Crossref

Decrypting the Information Exchange Pathways across the Spliceosome Machinery

Journal of the American Chemical Society
2020-05-06 | Journal article
Contributors: Andrea Saltalamacchia; Lorenzo Casalino; Jure Borišek; Victor S. Batista; Ivan Rivalta; Alessandra Magistrato
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Crossref

All-Atom Simulations Decrypt the Molecular Terms of RNA Catalysis in the Exon-Ligation Step of the Spliceosome

ACS Catalysis
2020-05-01 | Journal article
Contributors: Jure Borišek; Alessandra Magistrato
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Crossref

Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? An Answer from All-Atoms Simulations

2020-04-22 | Other
Contributors: Angelo Spinello; Andrea Saltalamacchia; Alessandra Magistrato
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Crossref

Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? An Answer from All-Atoms Simulations

2020-04-16 | Other
Contributors: Angelo Spinello; Andrea Saltalamacchia; Alessandra Magistrato
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Crossref

Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity and Pathogenesis?

2020-04-09 | Other
Contributors: Angelo Spinello; Andrea Saltalamacchia; Alessandra Magistrato
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Crossref

All-Atom Simulations Disclose How Cytochrome Reductase Reshapes the Substrate Access/Egress Routes of Its Partner CYP450s

The Journal of Physical Chemistry Letters
2020-02-20 | Journal article
Contributors: Ida Ritacco; Andrea Saltalamacchia; Angelo Spinello; Emiliano Ippoliti; Alessandra Magistrato
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Unraveling the molecular mechanisms of color expression in anthocyanins

Physical Chemistry Chemical Physics
2019 | Journal article
Contributors: Mariami Rusishvili; Luca Grisanti; Sara Laporte; Marco Micciarelli; Marta Rosa; Rebecca J. Robbins; Tom Collins; Alessandra Magistrato; Stefano Baroni
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Disclosing the Impact of Carcinogenic SF3b Mutations on Pre-mRNA Recognition Via All-Atom Simulations

Biomolecules
2019-10 | Journal article | Author
Contributors: Jure Borišek; andrea saltalamacchia; ANNA GALLI'; Giulia Palermo; Elisabetta Molteni; Luca Malcovati; Alessandra Magistrato
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Multidisciplinary Digital Publishing Institute
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Peer review (72 reviews for 18 publications/grants)

Review activity for ACS catalysis. (6)
Review activity for ACS omega. (2)
Review activity for Biomolecules. (1)
Review activity for Cell biology and toxicology. (1)
Review activity for Cellular and molecular life sciences (1)
Review activity for Chemistry. (1)
Review activity for ChemMedChem. (1)
Review activity for Communications biology. (1)
Review activity for International journal of molecular sciences. (3)
Review activity for Journal of chemical information and modeling. (16)
Review activity for Journal of chemical theory and computation : (15)
Review activity for Journal of medicinal chemistry. (1)
Review activity for Journal of the American Chemical Society. (6)
Review activity for Nature communications (2)
Review activity for PLoS computational biology. (2)
Review activity for The journal of physical chemistry letters. (9)
Review activity for The journal of physical chemistry. (3)
Review activity for The journal of physical chemistry. (1)