Mirco Zerbetto
Università degli Studi di Padova
H-index: 21
Europe-Italy
Top articles of Mirco Zerbetto
Analysis of velocity autocorrelation functions from molecular dynamics simulations of a small peptide by the generalized Langevin equation with a power-law kernel
The Journal of Physical Chemistry B
2023/12/12
Intrinsic Flexibility beyond the Highly Ordered DNA Tetrahedron: An Integrative Spectroscopic and Molecular Dynamics Approach
The Journal of Physical Chemistry Letters
2023/10/31
A multiscale approach to coupled nuclear and electronic dynamics. I. Quantum-stochastic Liouville equation in natural internal coordinates
The Journal of Chemical Physics
2023/6/28
Mirco Zerbetto
H-Index: 12
The roto-conformational diffusion tensor as a tool to interpret molecular flexibility
Physical Chemistry Chemical Physics
2023
Microsecond MD Simulations of the Plexin-B1 RBD: N–H Probability Density as Descriptor of Structural Dynamics, Dimerization-Related Conformational Entropy, and Transient Dimer …
The Journal of Physical Chemistry B
2022/8/18
Microsecond MD Simulations of the Plexin-B1 RBD: 2. N–H Probability Densities and Conformational Entropy in Ligand-Free, Rac1-Bound, and Dimer RBD
The Journal of Physical Chemistry B
2022/8/17
Ethanol electro-oxidation reaction on the Pd (111) surface in alkaline media: insights from quantum and molecular mechanics
Physical Chemistry Chemical Physics
2022
Parameter free evaluation of SN 2 reaction rates for halide substitution in halomethane
Physical Chemistry Chemical Physics
2022
Insights on the supramolecular polymorphism of poly (γ-benzyl-L-glutamate) rod-like peptides from atomistic molecular dynamics simulations
Journal of Materials Science
2021/10
Mirco Zerbetto
H-Index: 12
Oxygen Reduction Reaction at Single‐Site Catalysts: A Combined Electrochemical Scanning Tunnelling Microscopy and DFT Investigation on Iron Octaethylporphyrin Chloride on HOPG
ChemElectroChem
2021/8/2
Stochastic Modelling of 13C NMR Spin Relaxation Experiments in Oligosaccharides
Molecules
2021/4/21
Conformational entropy from mobile bond vectors in proteins: A viewpoint that unifies NMR relaxation theory and molecular dynamics simulation approaches
The Journal of Physical Chemistry B
2020/9/26
Performance of 450 kW permanent magnet heater for aluminum billets
COMPEL-The international journal for computation and mathematics in electrical and electronic engineering
2020/3/11
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
The Journal of Chemical Physics
2020/1/21
Multiscale modeling of reaction rates: application to archetypal SN 2 nucleophilic substitutions
Physical Chemistry Chemical Physics
2020
