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Mostrati risultati da 7 a 26 di 28
Titolo Data di pubblicazione Autori File
Fighting cancer with transition metal complexes: from naked DNA to protein and chromatin targeting strategies 1-gen-2016 Alessandra Magistrato +
Functionalized Fe‐Filled Multiwalled Carbon Nanotubes as Multifunctional Scaffolds for Magnetization of Cancer Cells’ 1-gen-2013 Magistrato, A. +
High pressure structure studies of three SrGeO3 polymorphs – Amorphization under pressure 1-gen-2021 Menescardi F.Ceresoli D. +
High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO3 - Discovery of a Post-Perovskite 1-gen-2022 Menescardi F.Ceresoli D. +
High-pressure, low-temperature studies of phase transitions in SrRuO3 – Absence of volume collapse 1-gen-2020 Menescardi F.Ceresoli D. +
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations 1-gen-2008 Magistrato, A.Carloni, P. +
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. +
Mostrati risultati da 7 a 26 di 28
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