Cargando…
Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis
(1) Background: the theoretical modelling of reactions occurring in liquid phase is a research line of primary importance both in theoretical–computational chemistry and in the context of organic and biological chemistry. Here we present the modelling of the kinetics of the hydroxide-promoted hydrol...
Autores principales: | Nardi, Alessandro Nicola, Olivieri, Alessio, Amadei, Andrea, Salvio, Riccardo, D’Abramo, Marco |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004441/ https://www.ncbi.nlm.nih.gov/pubmed/36903398 http://dx.doi.org/10.3390/molecules28052152 |
Ejemplares similares
-
Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases
por: Nardi, Alessandro Nicola, et al.
Publicado: (2022) -
Rationalizing Sequence and Conformational Effects
on the Guanine Oxidation in Different DNA Conformations
por: Nardi, Alessandro Nicola, et al.
Publicado: (2022) -
Theoretical Characterization of the Reduction Potentials
of Nucleic Acids in Solution
por: D’Annibale, Valeria, et al.
Publicado: (2021) -
Theoretical Modeling of Redox Potentials of Biomolecules
por: Chen, Cheng Giuseppe, et al.
Publicado: (2022) -
PyMM: An Open-Source
Python Program for QM/MM Simulations
Based on the Perturbed Matrix Method
por: Chen, Cheng Giuseppe, et al.
Publicado: (2022)