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Titolo Data di pubblicazione Autori File
Water and potassium dynamics inside the KcsA K+ channel 1-gen-2000 Torre, V.Carloni, P. +
Nitrogen fixation by a biologically-inspired catalyst: An ab initio and hybrid qm/mm molecular dynamics study 1-gen-2004 Magistrato ACarloni P
Ionic charge transfer effects in water, channels and enzymes 1-gen-2005 Dal Peraro, MatteoRaugei, SimoneMagistrato, ACarloni, P +
Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa 1-gen-2006 Magistrato, A.Carloni, P. +
Parameterization of novel anticancer drugs via a QM/MM force matching procedure and effect of drug-binding on DNA flexibility 1-gen-2006 Magistrato, ACarloni, P +
Classical and quantum chemical studies of copper phenanthroline complexes binding the DNA 1-gen-2007 Robertazzi, AMagistrato, ACarloni, P +
Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila 1-gen-2007 Simona, F.Magistrato, A.Carloni, P. +
Understanding anticancer Drug-DNA interactions via molecular dynamics simulations 1-gen-2007 Carloni, PMagistrato, A +
Huntigton disease: Cooperative hydrogen bonding in polyQ aggregates 1-gen-2007 Rossetti, GMagistrato, ACarloni, P +
Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods 1-gen-2008 Magistrato, A.Carloni, P. +
Anthrax Lethal Factor Investigated by Molecular Simulations 1-gen-2008 Hong, R.Magistrato, A.Carloni, P.
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations 1-gen-2008 Magistrato, A.Carloni, P. +
Computational Study of the DNA-Binding Protein Helicobacter pylori NikR: The Role of Ni2+ 1-gen-2010 MAGISTRATO, ALESSANDRAMicheletti, CristianCarloni, Paolo +
Structural facets of disease-linked human prion protein mutants: A molecular dynamic study 1-gen-2010 Giachin, GabrieleLegname, GiuseppeCarloni, Paolo +
Huntingtin: Stability and Interaction with Molecular Partner from Computational Biophysics Studies 1-gen-2010 Rossetti, GiuliaMagistrato, AlessandraCarloni, Paolo +
Erratum: Discovery of a class of diketopiperazines as antiprion compounds 1-gen-2010 Maria Laura BolognesiHoang Ngoc Ai TranSalvatore BongarzonePaolo CarloniGiuseppe Legname +
Common structural traits across pathogenic mutants of the human prion protein and their implications for familial prion diseases 1-gen-2011 Legname, GiuseppeCarloni, Paolo +
Erratum: Common structural traits across pathogenic mutants of the human prion protein and their implications for familial prion diseases 1-gen-2012 Rossetti, G.Cong, X.Legname, G.Carloni, P. +
Dominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras 1-gen-2013 Giachin, GabrieleCarloni, PaoloLegname, Giuseppe +
Mesencephalic dopaminergic neurons express a repertoire of olfactory receptors and respond to odorant-like molecules 1-gen-2014 Grison, AliceZucchelli, SilviaUrzi, AliceLazarevic, DejanPascarella, GiovanniRoncaglia, PaolaSimone, RobertoCarloni, PaoloLODOVICHI, ClaudiaGustincich, Stefano +
Mostrati risultati da 1 a 20 di 24
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