Sfoglia per Autore
The Binding Mechanism of Epolactaene to Hsp60 Unveiled by in Silico Modelling
2016-01-01 Spinello , A.; Barone , G.; Cappello , F.; Pace , A.; Buscemi, S.; Palumbo piccionello , A.
A peptide from human β thymosin as a platform for the development of new anti-biofilm agents for Staphylococcus spp. and Pseudomonas aeruginosa
2016-01-01 Schillaci, D; Spinello, A; Cusimano, M.G; Cascioferro, S; Barone, G; Vitale, M; Arizza, V
DNA-Binding and Anticancer Activity of Pyrene-Imidazolium Derivatives
2016-01-01 Bonsignore, 1.; Notaro, A.; Salvo, A.; Spinello, A.; Fiasconaro, G.; Terenzi, A.; Giacalone, F.; Keppler, B.; Giuliano, M.; Gruttadauria, M.; Barone, G.
Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy to Unravel Complex Structures
2016-01-01 Gattuso, H.; Spinello, A.; Terenzi, A.; Assfeld, X.; Barone, G.; Monari, A.
Molecular recognition of naphthalene diimide ligands by telomeric quadruplex-DNA: The importance of the protonation state and mediated hydrogen bonds
2016-01-01 Spinello, A.; Barone, G.; Grunenberg, J.
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era
2017-08-01 Spinello A.; Magistrato A.
The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA
2018-01-01 Bonsignore, R.; Russo, F.; Terenzi, A.; Spinello, A.; Lauria, A.; Gennaro, G.; Almerico, A.; Keppler, B.; Barone, G.
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome
2018-06-26 Casalino L.; Palermo G.; Spinello A.; Rothlisberger U.; Magistrato A.
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme?
2018-07-25 Spinello A.; Pavlin M.; Casalino L.; Magistrato A.
Antimicrobial and Antibiofilm Activity of a Recombinant Fragment of β-Thymosin of Sea Urchin Paracentrotus lividus
2018-10-02 Spinello, Angelo; Cusimano, Maria Grazia; Schillaci, Domenico; Inguglia, Luigi; Barone, Giampaolo; Arizza, Vincenzo
A Computational Assay of Estrogen Receptor α Antagonists Reveals the Key Common Structural Traits of Drugs Effectively Fighting Refractory Breast Cancers
2018-12-01 Pavlin M.; Spinello A.; Pennati M.; Zaffaroni N.; Gobbi S.; Bisi A.; Colombo G.; Magistrato A.
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways?
2018-12-26 Spinello A.; Vecile E.; Abbate A.; Dobrina A.; Magistrato A.
Targeting G-quadruplexes with organic dyes: Chelerythrine–DNA binding elucidated by combining molecular modeling and optical spectroscopy
2019-01-01 Terenzi A.; Gattuso H.; Spinello A.; Keppler B.K.; Chipot C.; Dehez F.; Barone G.; Monari A.
The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation
2019-01-14 Spinello A.; Ritacco I.; Magistrato A.
A Synthetic Derivative of Antimicrobial Peptide Holothuroidin 2 from Mediterranean Sea Cucumber (Holothuria tubulosa) in the Control of Listeria monocytogenes
2019-03-08 Cusimano, Maria Grazia; Spinello, Angelo; Barone, Giampaolo; Schillaci, Domenico; Cascioferro, Stella; Magistrato, Alessandra; Parrino, Barbara; Arizza, Vincenzo; Vitale, Maria
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery?
2019-04-01 Sgrignani J.; Casalino L.; Doro F.; Spinello A.; Magistrato A.
Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer
2019-04-15 Spinello A.; Martini S.; Berti F.; Pennati M.; Pavlin M.; Sgrignani J.; Grazioso G.; Colombo G.; Zaffaroni N.; Magistrato A.
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme
2019-04-29 Ritacco I.; Spinello A.; Ippoliti E.; Magistrato A.
Structural, Thermodynamic, and Kinetic Traits of Antiestrogen-Compounds Selectively Targeting the Y537S Mutant Estrogen Receptor α Transcriptional Activity in Breast Cancer Cell Lines
2019-09-04 Pavlin M.; Gelsomino L.; Barone I.; Spinello A.; Catalano S.; Ando S.; Magistrato A.
Exploiting Cryo-EM Structural Information and All-Atom Simulations to Decrypt the Molecular Mechanism of Splicing Modulators
2019-09-20 Borisek J.; Saltalamacchia A.; Spinello A.; Magistrato A.
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