ZERBETTO, MIRCO
ZERBETTO, MIRCO
Dipartimento di Scienze Chimiche - DiSC
(15)N-H-Related Conformational Entropy Changes Entailed By Plexin-B1 RBD Dimerization: Combined Molecular Dynamics/NMR Relaxation Approach
2017 Zerbetto, Mirco; Meirovitch, Eva
A multiscale approach to coupled nuclear and electronic dynamics. I. Quantum-stochastic Liouville equation in natural internal coordinates
2023 Campeggio, Jonathan; Cortivo, Riccardo; Zerbetto, Mirco
A multiscale approach to coupled nuclear and electronic dynamics. II. Exact and approximated evaluation of nonradiative transition rates
2023 Cortivo, Riccardo; Campeggio, Jonathan; Zerbetto, Mirco
Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-(Aib-Aib-TOAC)(2)-Aib-OMe in acetonitrile
2007 Zerbetto, Mirco; Carlotto, Silvia; Polimeno, Antonino; Corvaja, Carlo; Franco, Lorenzo; Toniolo, Claudio; Formaggio, Fernando; V., Barone; P., Cimino
An advanced approach to the evaluation of the spin-rotational term for a nitronyl nitroxide in fluid solution
2013 Collauto, Alberto; Barbon, Antonio; Zerbetto, Mirco; Brustolon, MARINA ROSA
An integrated approach to NMR spin relaxation in flexible biomolecules: Application to beta-D-glucopyranosyl-(1 -> 6)-alpha-D-mannopyranosyl-OMe
2009 Zerbetto, Mirco; Polimeno, Antonino; D., Kotsyubynskyy; L., Ghalebani; J., Kowalewski; E., Meirovitch; U., Olsson; G., Widmaln
Analysis of Velocity Autocorrelation Functions from Molecular Dynamics Simulations of a Small Peptide by the Generalized Langevin Equation with a Power-Law Kernel
2023 Abergel, Daniel; Polimeno, Antonino; Zerbetto, Mirco
Analysis of15N–1H NMR Relaxation in Proteins by a Combined Experimental and Molecular Dynamics Simulation Approach: Picosecond–Nanosecond Dynamics of the Rho GTPase Binding Domain of Plexin-B1 in the Dimeric State Indicates Allosteric Pathways
2013 Zerbetto, Mirco; Ross, Anderson; Sabine Bouguet, Bonnet; Mariano, Rech; Liqun, Zhang; Eva, Meirovitch; Polimeno, Antonino; Matthias, Buck
Backbone Dynamics of Deoxy and Carbonmonoxy Hemoglobin by NMR/SRLS
2011 E., Meirovitch; Zerbetto, Mirco; Polimeno, Antonino; J. H., Freed
Bulky toroidal and vesicular self-assembled nanostructures from fullerene end-capped rod-like polymers
2014 Mazzier, Daniela; MBA BLAZQUEZ, Miriam; Zerbetto, Mirco; Moretto, Alessandro
C++ OPPS, A New Software for the Interpretation of Protein Dynamics from Nuclear Magnetic Resonance Measurements
2010 Zerbetto, Mirco; Polimeno, Antonino; E., Meirovitch
Computational Study of Environmental Effects on Torsional Free Energy Surface ofN-Acetyl-N′-methyl-l-alanylamide Dipeptide
2014 Carlotto, Silvia; Zerbetto, Mirco
Computational tools for the interpretation of electron spin resonance spectra in solution
2013 Zerbetto, Mirco; Daniele, Licari; Vincenzo, Barone; Polimeno, Antonino
Conformational Entropy from Mobile Bond Vectors in Proteins: A Viewpoint that Unifies NMR Relaxation Theory and Molecular Dynamics Simulation Approaches
2020 Mendelman, N.; Zerbetto, M.; Buck, M.; Meirovitch, E.
Conformational mobility in monolayer-protected nanoparticles: from torsional free energy profiles to NMR relaxation
2015 Piserchia, Andrea; Zerbetto, Mirco; Salvia, MARIE-VIRGINIE; Salassa, Giovanni; Gabrielli, Luca; Mancin, Fabrizio; Rastrelli, Federico; Frezzato, Diego
Density Functional Theory (DFT) and Experimental Evidences of Metal–Support Interaction in Platinum Nanoparticles Supported on Nitrogen- and Sulfur-Doped Mesoporous Carbons: Synthesis, Activity, and Stability
2018 Perazzolo, Valentina; Brandiele, Riccardo; Durante, Christian; Zerbetto, Mirco; Causin, Valerio; Rizzi, Gian Andrea; Cerri, Isotta; Granozzi, Gaetano; Gennaro, Armando
Development and validation of an integrated computational approach for the modeling of cw-ESR spectra of free radicals in solution: p-(methylthio)phenyl nitronylnitroxide in toluene as a case study
2006 V., Barone; Brustolon, MARINA ROSA; P., Cimino; Polimeno, Antonino; Zerbetto, Mirco; Zoleo, Alfonso
Differential Dynamics at Glycosidic Linkages of an Oligosaccharide as Revealed by 13C NMR Spin Relaxation and Stochastic Modeling
2018 Zerbetto, Mirco; Angles d'Ortoli, Thibault; Polimeno, Antonino; Widmalm, Göran
DiTe2: Calculating the diffusion tensor for flexible molecules
2019 Campeggio, Jonathan; Polimeno, Antonino; Zerbetto, Mirco
Effect of Different Conformational Distributions on the Ultrafast Coherence Dynamics in Porphyrin-Based Polymers
2019 Volpato, Andrea; Zerbetto, Mirco; Bolzonello, Luca; Meneghin, Elena; Fresch, Barbara; Benelli, Tiziana; Giorgini, Loris; Collini, Elisabetta