Novel mechanisms of the conformational transformations of the biologically important G·C nucleobase pairs in Watson–Crick, Hoogsteen and wobble configurations via the mutual rotations of the bases around the intermolecular H-bonds: a QM/QTAIM study

At the MP2/6-311++G(2df,pd)//B3LYP/6-311++G(d,p) level of quantum-mechanical theory, we provide for the first time a comprehensive investigation of the physico-chemical mechanisms of the 55 conformational transformations of the biologically-important G·C nucleobase pairs – Watson–Crick (WC), reverse...

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Detalles Bibliográficos
Autores principales: Brovarets', Ol'ha O., Muradova, Alona, Hovorun, Dmytro M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036977/
https://www.ncbi.nlm.nih.gov/pubmed/35478902
http://dx.doi.org/10.1039/d0ra08702e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9036977/
https://www.ncbi.nlm.nih.gov/pubmed/35478902
http://dx.doi.org/10.1039/d0ra08702e

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