Alessandra Magistrato

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 60

Top Topics

Molecular Dynamics

Top Venues

The journal of physical chemistry letters

Journal of chemical information and modeling

Nature communications

International journal of molecular sciences

This page only lists publications with an associated author ORCID identifier.

Publications

Angela Parise, Sofia Cresca, Alessandra Magistrato
Molecular dynamics simulations for the structure-based drug design: targeting small-GTPases proteins. Expert opinion on drug discovery (2024)
Silvia Rinaldi, Elisabetta Moroni, Riccardo Rozza, Alessandra Magistrato
Frontiers and Challenges of Computing ncRNAs Biogenesis, Function and Modulation. Journal of chemical theory and computation 20 (3) (2024)
Jana Aupič, Pavlína Pokorná, Sharon Ruthstein, Alessandra Magistrato
Predicting Conformational Ensembles of Intrinsically Disordered Proteins: From Molecular Dynamics to Machine Learning. The journal of physical chemistry letters 15 (32) (2024)
Francesco Guidarelli Mattioli, Andrea Saltalamacchia, Alessandra Magistrato
Tracing Allostery in the Spliceosome Ski2-like RNA Helicase Brr2. The journal of physical chemistry letters 15 (13) (2024)
Angela Parise, Alessandra Magistrato
Assessing the mechanism of fast-cycling cancer-associated mutations of Rac1 small Rho GTPase. Protein science : a publication of the Protein Society 33 (4) (2024)
Francesco Guidarelli Mattioli, Andrea Saltalamacchia, Alessandra Magistrato
Tracing Allostery in the Spliceosome Ski2-like RNA Helicase Brr2. The journal of physical chemistry letters (2024)
Jana Aupič, Pavlína Pokorná, Sharon Ruthstein, Alessandra Magistrato
Predicting Conformational Ensembles of Intrinsically Disordered Proteins: From Molecular Dynamics to Machine Learning. The journal of physical chemistry letters (2024)
Silvia Rinaldi, Elisabetta Moroni, Riccardo Rozza, Alessandra Magistrato
Frontiers and Challenges of Computing ncRNAs Biogenesis, Function and Modulation. Journal of chemical theory and computation 20 (3) (2024)
Francesco Guidarelli Mattioli, Andrea Saltalamacchia, Alessandra Magistrato
Tracing Allostery in the Spliceosome Ski2-like RNA Helicase Brr2. The journal of physical chemistry letters 15 (13) (2024)
Francesco Guidarelli Mattioli, Andrea Saltalamacchia, Alessandra Magistrato
Tracing Allostery in the Spliceosome Ski2-like RNA Helicase Brr2. The journal of physical chemistry letters 15 (13) (2024)
Silvia Rinaldi, Elisabetta Moroni, Riccardo Rozza, Alessandra Magistrato
Frontiers and Challenges of Computing ncRNAs Biogenesis, Function and Modulation. Journal of chemical theory and computation (2024)
Angela Parise, Alessandra Magistrato
Assessing the mechanism of fast-cycling cancer-associated mutations of Rac1 small Rho GTPase. Protein science : a publication of the Protein Society 33 (4) (2024)
Sefora Naomi Agrò, Riccardo Rozza, Santiago Movilla, Jana Aupič, Alessandra Magistrato
Molecular Dynamics Simulations Elucidate the Molecular Basis of Pre-mRNA Translocation by the Prp2 Spliceosomal Helicase. Journal of chemical information and modeling (2023)
Jana Aupič, Jure Borišek, Sebastian M Fica, Wojciech P Galej, Alessandra Magistrato
Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome. Nature communications 14 (1) (2023)
Valeria Scalcon, Riccardo Bonsignore, Jana Aupič, Sophie R Thomas, Alessandra Folda, Alexandra A Heidecker, Alexander Pöthig, Alessandra Magistrato, Angela Casini, Maria Pia Rigobello
Exploring the Anticancer Activity of Tamoxifen-Based Metal Complexes Targeting Mitochondria. Journal of medicinal chemistry (2023)
Riccardo Rozza, Pavel Janoš, Alessandra Magistrato
Monovalent Ionic Atmosphere Modulates the Selection of Suboptimal RNA Sequences by Splicing Factors' RNA Recognition Motifs. Journal of chemical information and modeling (2023)
Jana Aupič, Jure Borišek, Sebastian M Fica, Wojciech P Galej, Alessandra Magistrato
Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome. Nature communications 14 (1) (2023)
Jana Aupič, Jure Borišek, Sebastian M Fica, Wojciech P Galej, Alessandra Magistrato
Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome. Nature communications 14 (1) (2023)
Santiago Movilla, Maite Roca, Vicent Moliner, Alessandra Magistrato
Molecular Basis of RNA-Driven ATP Hydrolysis in DExH-Box Helicases. Journal of the American Chemical Society (2023)
Jana Aupič, Jure Borišek, Sebastian M Fica, Wojciech P Galej, Alessandra Magistrato
Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome. Nature communications 14 (1) (2023)
Riccardo Rozza, Pavel Janoš, Alessandra Magistrato
Monovalent Ionic Atmosphere Modulates the Selection of Suboptimal RNA Sequences by Splicing Factors' RNA Recognition Motifs. Journal of chemical information and modeling 63 (10) (2023)
Riccardo Rozza, Pavel Janoš, Alessandra Magistrato
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)
Jana Aupič, Jure Borišek, Sebastian M Fica, Wojciech P Galej, Alessandra Magistrato
Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome. Nature communications 14 (1) (2023)
Silvia Gobbi, Silvia Martini, Riccardo Rozza, Angelo Spinello, Jessica Caciolla, Angela Rampa, Federica Belluti, Nadia Zaffaroni, Alessandra Magistrato, Alessandra Bisi
Switching from Aromatase Inhibitors to Dual Targeting Flavonoid-Based Compounds for Breast Cancer Treatment. Molecules (Basel, Switzerland) 28 (7) (2023)
Riccardo Rozza, Pavel Janoš, Alessandra Magistrato
Monovalent Ionic Atmosphere Modulates the Selection of Suboptimal RNA Sequences by Splicing Factors' RNA Recognition Motifs. Journal of chemical information and modeling 63 (10) (2023)
Jana Aupič, Jure Borišek, Sebastian M Fica, Wojciech P Galej, Alessandra Magistrato
Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome. Nature communications 14 (1) (2023)
Angelo Spinello, Pavel Janoš, Riccardo Rozza, Alessandra Magistrato
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)
Pavel Janoš, Alessandra Magistrato
Role of Monovalent Ions in the NKCC1 Inhibition Mechanism Revealed through Molecular Simulations. International journal of molecular sciences 23 (23) (2022)
Riccardo Rozza, Pavel Janoš, Angelo Spinello, Alessandra Magistrato
Role of computational and structural biology in the development of small-molecule modulators of the spliceosome. Expert opinion on drug discovery 17 (10) (2022)
Pavel Janoš, Alessandra Magistrato
Role of Monovalent Ions in the NKCC1 Inhibition Mechanism Revealed through Molecular Simulations. International journal of molecular sciences 23 (23) (2022)
Riccardo Rozza, Andrea Saltalamacchia, Clarissa Orrico, Pavel Janoš, Alessandra Magistrato
All-Atom Simulations Elucidate the Impact of U2AF2 Cancer-Associated Mutations on Pre-mRNA Recognition. Journal of chemical information and modeling (2022)
Pavel Janoš, Alessandra Magistrato
Role of Monovalent Ions in the NKCC1 Inhibition Mechanism Revealed through Molecular Simulations. International journal of molecular sciences 23 (23) (2022)
Pavel Janoš, Alessandra Magistrato
Role of Monovalent Ions in the NKCC1 Inhibition Mechanism Revealed through Molecular Simulations. International journal of molecular sciences 23 (23) (2022)
Katja Pirc, Luke A Clifton, Neval Yilmaz, Andrea Saltalamacchia, Mojca Mally, Tina Snoj, Nada Žnidaršič, Marija Srnko, Jure Borišek, Petteri Parkkila, Isabell Albert, Marjetka Podobnik, Keiji Numata, Thorsten Nürnberger, Tapani Viitala, Jure Derganc, Alessandra Magistrato, Jeremy H Lakey, Gregor Anderluh
An oomycete NLP cytolysin forms transient small pores in lipid membranes. Science advances 8 (10) (2022)
Pavel Janoš, Jana Aupič, Sharon Ruthstein, Alessandra Magistrato
The conformational plasticity of the selectivity filter methionines controls the in-cell Cu(I) uptake through the CTR1 transporter. QRB discovery 3 (2022)
Jana Aupič, Fabio Lapenta, Pavel Janoš, Alessandra Magistrato
Intrinsically disordered ectodomain modulates ion permeation through a metal transporter. Proceedings of the National Academy of Sciences of the United States of America 119 (48) (2022)
Jure Borišek, Angelo Spinello, Alessandra Magistrato
Molecular Basis of SARS-CoV-2 Nsp1-Induced Immune Translational Shutdown as Revealed by All-Atom Simulations. The journal of physical chemistry letters 12 (48) (2021)
Sara Isaline Laporte, Alessandra Magistrato
Deciphering the Molecular Terms of Arp2/3 Allosteric Regulation from All-Atom Simulations and Dynamical Network Theory. The journal of physical chemistry letters 12 (22) (2021)
Katja Pirc, Vesna Hodnik, Tina Snoj, Tea Lenarčič, Simon Caserman, Marjetka Podobnik, Hannah Böhm, Isabell Albert, Anita Kotar, Janez Plavec, Jure Borišek, Martina Damuzzo, Alessandra Magistrato, Boris Brus, Gobec Izidor Sosič, Stanislav Gobec, Thorsten Nürnberger, Gregor Anderluh
Nep1-like proteins as a target for plant pathogen control. PLoS pathogens 17 (4) (2021)
Pavel Janoš, Alessandra Magistrato
All-Atom Simulations Uncover the Molecular Terms of the NKCC1 Transport Mechanism. Journal of chemical information and modeling 61 (7) (2021)
Angelo Spinello, Andrea Saltalamacchia, Jure Borišek, Alessandra Magistrato
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 12 (25) (2021)
Pamela R Denish, Julie-Anne Fenger, Randall Powers, Gregory T Sigurdson, Luca Grisanti, Kathryn G Guggenheim, Sara Isaline Laporte, Julia Li, Tadao Kondo, Alessandra Magistrato, Mícheál P Moloney, Mary Riley, Mariami Rusishvili, Neda Ahmadiani, Stefano Baroni, Olivier Dangles, Maria Monica Giusti, Thomas M Collins, John Didzbalis, Kumi Yoshida, Justin B Siegel, Rebecca J Robbins
Discovery of a natural cyan blue: A unique food-sourced anthocyanin could replace synthetic brilliant blue. Science advances 7 (15) (2021)
Jing Xu, Federica Simonelli, Xiaoyun Li, Angelo Spinello, Sara Isaline Laporte, Vincent Torre, Alessandra Magistrato
Molecular Mechanisms of the Blockage of Glioblastoma Motility. Journal of chemical information and modeling 61 (6) (2021)
Angelo Spinello, Jure Borišek, Luca Malcovati, Alessandra Magistrato
Investigating the Molecular Mechanism of H3B-8800: A Splicing Modulator Inducing Preferential Lethality in Spliceosome-Mutant Cancers. International journal of molecular sciences 22 (20) (2021)
Angelo Spinello, Andrea Saltalamacchia, Alessandra Magistrato
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 11 (12) (2020)
Zena Qasem, Matic Pavlin, Ida Ritacco, Lada Gevorkyan-Airapetov, Alessandra Magistrato, Sharon Ruthstein
The pivotal role of MBD4-ATP7B in the human Cu(i) excretion path as revealed by EPR experiments and all-atom simulations. Metallomics : integrated biometal science 11 (7) (2020)
Andrea Saltalamacchia, Lorenzo Casalino, Jure Borišek, Victor S Batista, Ivan Rivalta, Alessandra Magistrato
Decrypting the Information Exchange Pathways across the Spliceosome Machinery. Journal of the American Chemical Society 142 (18) (2020)
Ida Ritacco, Andrea Saltalamacchia, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato
All-Atom Simulations Disclose How Cytochrome Reductase Reshapes the Substrate Access/Egress Routes of Its Partner CYP450s. The journal of physical chemistry letters 11 (4) (2020)
Chao Zhang, Tiziana Schilirò, Marta Gea, Silvia Bianchi, Angelo Spinello, Alessandra Magistrato, Gianfranco Gilardi, Giovanna Di Nardo
Molecular Basis for Endocrine Disruption by Pesticides Targeting Aromatase and Estrogen Receptor. International journal of environmental research and public health 17 (16) (2020)
Ortal Perkal, Zena Qasem, Meital Turgeman, Renana Schwartz, Lada Gevorkyan-Airapetov, Matic Pavlin, Alessandra Magistrato, Dan Thomas Major, Sharon Ruthstein
Cu(I) Controls Conformational States in Human Atox1 Metallochaperone: An EPR and Multiscale Simulation Study. The journal of physical chemistry. B 124 (22) (2020)
Jure Borišek, Lorenzo Casalino, Andrea Saltalamacchia, Suzanne G Mays, Luca Malcovati, Alessandra Magistrato
Atomic-Level Mechanism of Pre-mRNA Splicing in Health and Disease. Accounts of chemical research 54 (1) (2020)
Matic Pavlin, Zena Qasem, Hila Sameach, Lada Gevorkyan-Airapetov, Ida Ritacco, Sharon Ruthstein, Alessandra Magistrato
Unraveling the Impact of Cysteine-to-Serine Mutations on the Structural and Functional Properties of Cu(I)-Binding Proteins. International journal of molecular sciences 20 (14) (2019)
Maria Grazia Cusimano, Angelo Spinello, Giampaolo Barone, Domenico Schillaci, Stella Cascioferro, Alessandra Magistrato, Barbara Parrino, Vincenzo Arizza, Maria Vitale
A Synthetic Derivative of Antimicrobial Peptide Holothuroidin 2 from Mediterranean Sea Cucumber (Holothuria tubulosa) in the Control of Listeria monocytogenes. Marine drugs 17 (3) (2019)
Angelo Spinello, Elena Vecile, Antonio Abbate, Aldo Dobrina, Alessandra Magistrato
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways? Journal of chemical information and modeling 59 (1) (2019)
Ida Ritacco, Angelo Spinello, Emiliano Ippoliti, Alessandra Magistrato
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme. Journal of chemical information and modeling 59 (6) (2019)
Jure Borišek, Andrea Saltalamacchia, Angelo Spinello, Alessandra Magistrato
Exploiting Cryo-EM Structural Information and All-Atom Simulations To Decrypt the Molecular Mechanism of Splicing Modulators. Journal of chemical information and modeling 60 (5) (2019)
Tea Lenarčič, Katja Pirc, Vesna Hodnik, Isabell Albert, Jure Borišek, Alessandra Magistrato, Thorsten Nürnberger, Marjetka Podobnik, Gregor Anderluh
Molecular basis for functional diversity among microbial Nep1-like proteins. PLoS pathogens 15 (9) (2019)
Lorenzo Casalino, Giulia Palermo, Angelo Spinello, Ursula Rothlisberger, Alessandra Magistrato
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome. Proceedings of the National Academy of Sciences of the United States of America 115 (26) (2018)
Angelo Spinello, Matic Pavlin, Lorenzo Casalino, Alessandra Magistrato
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme? Chemistry (Weinheim an der Bergstrasse, Germany) 24 (42) (2018)
Alessandra Magistrato, Jacopo Sgrignani, Rolf Krause, Andrea Cavalli
Single or Multiple Access Channels to the CYP450s Active Site? An Answer from Free Energy Simulations of the Human Aromatase Enzyme. The journal of physical chemistry letters 8 (9) (2017)