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Mostrati risultati da 13 a 28 di 28
Titolo Data di pubblicazione Autori File
Modeling anticancer drug-DNA interactions via mixed QM/MM molecular dynamics simulations 1-gen-2006 Magistrato, A. +
The molecular mechanism of secondary sodium symporters elucidated through the lens of the computational microscope 1-gen-2016 Ina BishaAlessandra Magistrato
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era 1-gen-2017 Alessandra Magistrato +
Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila 1-gen-2007 Simona, F.Magistrato, A.Carloni, P. +
QM/MM MD simulations on the enzymatic pathway of the human flap endonuclease (hFEN1) elucidate common cleavage pathways to RNase H enzymes 1-gen-2015 MAGISTRATO, ALESSANDRA +
QM/MM molecular dynamics studies of metal binding proteins 1-gen-2014 Alessandra Magistrato +
Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa 1-gen-2006 Magistrato, A.Carloni, P. +
Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods 1-gen-2008 Magistrato, A.Carloni, P. +
Serpin inhibitors for the treatment of prion and prion-like diseases 30-apr-2018 Legname, G.Vanni, S.Carloni, P. +
Single or multiple access channels to the CYP450s active site? An answer from free energy simulations of the human aromatase enzyme 1-gen-2017 Magistrato, A. +
The Structural Role of Mg2+ Ions in a Class I RNA Polymerase Ribozyme. A Molecular Simulation Study 1-gen-2012 MAGISTRATO, ALESSANDRA +
Structural, dynamical and catalytic interplay between Mg2+ ions and RNA. Vices and virtues of atomistic simulations 1-gen-2016 Casalino, L.Magistrato, A.
Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives 1-gen-2009 Magistrato, A. +
Theoretical studies of the reductive C-S bond cleavage in complexes of the form [M(9S3)(2)](2+) (M = Re, Tc, and Ru; 9S3=1,4,7-trithiacyclononane) 1-gen-2004 Magistrato, A. +
Unifying view of mechanical and functional hotspots across class A GPCRs 1-gen-2017 Ponzoni, LucaGiorgetti, AlejandroCarloni, PaoloMicheletti, Cristian +
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns 1-gen-2016 Casalino, L.Palermo, G.Magistrato, A. +
Mostrati risultati da 13 a 28 di 28
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