SPINELLO, ANGELO
SPINELLO, ANGELO
Istituto Officina dei Materiali - IOM -
All-atom simulations to studying metallodrugs/target interactions
2021 Janos, Pavel; Spinello, Angelo; Magistrato, Alessandra
Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer
2021 Caciolla, Jessica; Martini, Silvia; Spinello, Angelo; Pavlin, Matic; Turrini, Eleonora; Simonelli, Federica; Belluti, Federica; Rampa, Angela; Bisi, Alessandra; Fimognari, Carmela; Zaffaroni, Nadia; Gobbi, Silvia; Magistrato, Alessandra
Computing metal‐binding proteins for therapeutic benefit
2021 Spinello, Angelo; Borišek, Jure; Pavlin, Matic; Janoš, Pavel; Magistrato, Alessandra
Frontiers of metal-coordinating drug design
2021 Palermo, Giulia; Spinello, Angelo; Saha, Aakash; Magistrato, Alessandra
All-Atom simulations disclose how cytochrome reductase reshapes the substrate access/egress routes of its partner cyp450s
2020 Ritacco, I; Saltalamacchia, A; Spinello, A; Ippoliti, E; Magistrato, A
A synthetic derivative of antimicrobial peptide holothuroidin 2 from mediterranean sea cucumber (Holothuria tubulosa) in the control of Listeria monocytogenes
2019 Cusimano M.G.; Spinello A.; Barone G.; Schillaci D.; Cascioferro S.; Magistrato A.; Parrino B.; Arizza V.; Vitale M.
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways?
2019 Spinello A.; Vecile E.; Abbate A.; Dobrina A.; Magistrato A.
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme
2019 Ritacco, I; Spinello, A; Ippoliti, E; Magistrato, A
Structural, Thermodynamic, and Kinetic Traits of Antiestrogen-Compounds Selectively Targeting the Y537S Mutant Estrogen Receptor ? Transcriptional Activity in Breast Cancer Cell Lines
2019 Pavlin M.; Gelsomino L.; Barone I.; Spinello A.; Catalano S.; Ando S.; Magistrato A.
The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation
2019 Spinello, A; Ritacco, I; Magistrato, A
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme?
2018 Spinello A.; Pavlin M.; Casalino L.; Magistrato A.
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome
2018 Casalino, L; Palermo, G; Spinello, A; Rothlisberger, U; Magistrato, A
Antimicrobial and antibiofilm activity of a recombinant fragment of ?-thymosin of sea urchin paracentrotus lividus
2018 Spinello, A; Cusimano, Mg; Schillaci, D; Inguglia, L; Barone, G; Arizza, V
The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA
2018 Bonsignore R.; Russo F.; Terenzi A.; Spinello A.; Lauria A.; Gennaro G.; Almerico A.M.; Keppler B.K.; Barone G.
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era
2017 Spinello A.; Magistrato A.