MAGISTRATO, ALESSANDRA
MAGISTRATO, ALESSANDRA
Scuola Internazionale Superiore di Studi Avanzati
Ab initio molecular dynamics simulations of biologically relevant systems
2005-01-01 Magistrato, Alessandra; Carloni, P.
All-Atom Simulations Decrypt the Molecular Terms of RNA Catalysis in the Exon-Ligation Step of the Spliceosome
2020-01-01 Borisek, J.; Magistrato, A.
All-Atom simulations disclose how cytochrome reductase reshapes the substrate access/egress routes of its partner cyp450s
2020-01-01 Ritacco, I.; Saltalamacchia, A.; Spinello, A.; Ippoliti, E.; Magistrato, A.
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome
2018-01-01 Casalino, L.; Palermo, G.; Spinello, A.; Rothlisberger, U.; Magistrato, A.
All-atom simulations to studying metallodrugs/target interactions
2021-01-01 Janos, P.; Spinello, A.; Magistrato, A.
All-Atom Simulations Uncover the Molecular Terms of the NKCC1 Transport Mechanism
2021-01-01 Janos, P.; Magistrato, A.
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
2021-01-01 Spinello, A.; Saltalamacchia, A.; Borisek, J.; Magistrato, A.
Allosteric modulation of aromatase: a novel strategy for the next generation anti-cancer drugs
2017-01-01 Spinello, A; Pennati, M; Zaffaroni, N; Magistrato, A
Anthramycin-DNA binding explored by molecular simulations
2006-01-01 Vargiu, Av; Ruggerone, P; Magistrato, Alessandra; Carloni, P.
Anthrax Lethal Factor Investigated by Molecular Simulations
2008-01-01 Hong, R.; Magistrato, A.; Carloni, P.
Atomic-Level Mechanism of Pre-mRNA Splicing in Health and Disease
2021-01-01 0borisek, J.; Casalino, L.; Saltalamacchia, A.; Mays, S. G.; Malcovati, L.; Magistrato, A.
Atomistic-level portrayal of drug-DNA interplay: A history of courtships and meetings revealed by molecular simulations
2014-01-01 Vargiu, Attilio V.; Magistrato, Alessandra
Azole-Bridged Diplatinum Anticancer Compounds. Modulating DNA Flexibility to Escape Repair Mechanism and Avoid Cross Resistance
2007-01-01 Spiegel, K.; Magistrato, A.; Carloni, P.; Reedijk, J.; Klein, M. L.
Azole-bridged diplatinum anticancer drugs: Escaping repair mechanism and avoiding cross-resistance by modulating DNA-flexibility
2007-01-01 Magistrato, Alessandra
Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer
2021-01-01 Caciolla, J.; Martini, S.; Spinello, A.; Pavlin, M.; Turrini, E.; Simonelli, F.; Belluti, F.; Rampa, A.; Bisi, A.; Fimognari, C.; Zaffaroni, N.; Gobbi, S.; Magistrato, A.
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations
2006-01-01 Magistrato, Alessandra; Ruggerone, P; Spiegel, K; Carloni, P; Reedijk, J.
Bioinorganic Chemistry of Parkinson's Disease: Structural Determinants for the Copper-Mediated Amyloid Formation of Alpha-Synuclein
2010-01-01 Binolfi, A; Rodriguez, Ee; Valensin, D; D'Amelio, N; Ippoliti, E; Obal, G; Duran, R; Magistrato, Alessandra; Pritsch, O; Zweckstetter, M; Valensin, G; Carloni, P; Quintanar, L; Griesinger, C; Fernandez, Co
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery?
2019-01-01 Sgrignani, J.; Casalino, L.; Doro, F.; Spinello, A.; Magistrato, A.
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations
2013-01-01 Bisha, I; Laio, Alessandro; Magistrato, Alessandra; Giorgetti, A; Sgrignani, J.
The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation
2019-01-01 Spinello, A.; Ritacco, I.; Magistrato, A.