POLIMENO, ANTONINO
POLIMENO, ANTONINO
Dipartimento di Scienze Chimiche - DiSC
QSLE-v1.0: A New Software Package for the Calculation of Coupled Quantum-Classical Dynamics in Condensed Phases Based on a Stochastic Approach
2024 Cortivo, Riccardo; Zerbetto, Mirco; Polimeno, Antonino
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
Intrinsic Flexibility beyond the Highly Ordered DNA Tetrahedron: An Integrative Spectroscopic and Molecular Dynamics Approach
2023 Zerbetto, Mirco; Saint-Pierre, Christine; Piserchia, Andrea; Torrengo, Simona; Gambarelli, Serge; Abergel, Daniel; Polimeno, Antonino; Gasparutto, Didier; Sicoli, Giuseppe
The roto-conformational diffusion tensor as a tool to interpret molecular flexibility
2023 Rampino, Sergio; Zerbetto, Mirco; Polimeno, Antonino
Parameter free evaluation of SN2 reaction rates for halide substitution in halomethane
2022 Bortoli, Marco; Campeggio, Jonathan; Orian, Laura; Zerbetto, Mirco; Polimeno, Antonino
Enabling Circular Economy: The Overlooked Role of Inorganic Materials Chemistry
2021 Salviulo, G.; Lavagnolo, M. C.; Dabala, M.; Bernardo, E.; Polimeno, A.; Sambi, M.; Bonollo, F.; Gross, S.
Stochastic modelling of13c nmr spin relaxation experiments in oligosaccharides
2021 Rampino, S.; Zerbetto, M.; Polimeno, A.
Glycosidic linkage flexibility: The ψ torsion angle has a bimodal distribution in α-L-Rhap-(1→2)-α-L-Rhap-OMe as deduced from 13C NMR spin relaxation
2020 Zerbetto, Mirco; Polimeno, Antonino; Widmalm, Göran
Modelling of Ca2+-promoted structural effects in wild type and post-translationally modified Connexin26
2020 Calligari, P.; Torsello, M.; Bortoli, M.; Orian, L.; Polimeno, A.
Multiscale modeling of reaction rates: application to archetypal SN2 nucleophilic substitutions
2020 Campeggio, Jonathan; Bortoli, Marco; Orian, Laura; Zerbetto, Mirco; Polimeno, Antonino
Changes in the fraction of strongly attached cross bridges in mouse atrophic and hypertrophic muscles as revealed by continuous wave electron paramagnetic resonance
2019 Galazzo, L.; Nogara, L.; Loverso, F.; Polimeno, A.; Blaauw, B.; Sandri, M.; Reggiani, C.; Carbonera, D.
DiTe2: Calculating the diffusion tensor for flexible molecules
2019 Campeggio, Jonathan; Polimeno, Antonino; Zerbetto, Mirco
Evaluating rotation diffusion properties of molecules from short trajectories
2019 Polimeno, Antonino; Zerbetto, Mirco
Similarity and Specificity of Chlorophyll b Triplet State in Comparison to Chlorophyll a as Revealed by EPR/ENDOR and DFT Calculations
2019 Agostini, Alessandro; Dal Farra, Maria Giulia; Paulsen, Harald; Polimeno, Antonino; Orian, Laura; Di Valentin, Marilena; Carbonera, Donatella
Stochastic modeling of macromolecules in solution. I. Relaxation processes
2019 Polimeno, A.; Zerbetto, M.; Abergel, JEROME, DANIEL
Stochastic modeling of macromolecules in solution. II. Spectral densities
2019 Polimeno, A.; Zerbetto, M.; Abergel, D.
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
Decomposition of proteins into dynamic units from atomic cross-correlation functions
2017 Calligari, Paolo; Gerolin, Marco; Abergel, Daniel; Polimeno, Antonino
Integrated Computational Approach to the Electron Paramagnetic Resonance Characterization of Rigid 310-Helical Peptides with TOAC Nitroxide Spin Labels
2017 Gerolin, Marco; Zerbetto, Mirco; Moretto, Alessandro; Formaggio, Fernando; Toniolo, Claudio; van Son, Martin; Shabestari, Maryam Hashemi; Huber, Martina; Calligari, Paolo; Polimeno, Antonino
Flexibility at a glycosidic linkage revealed by molecular dynamics, stochastic modeling, and 13C NMR spin relaxation: Conformational preferences of α-l-Rhap-α-(1 → 2)-α-l-Rhap-OMe in water and dimethyl sulfoxide solutions
2016 Pendrill, Robert; Engström, Olof; Volpato, Andrea; Zerbetto, Mirco; Polimeno, Antonino; Widmalm, Göran