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The A·T(rWC)/A·T(H)/A·T(rH) ↔ A·T*(rw(WC))/A·T*(w(H))/A·T*(rw(H)) mutagenic tautomerization via sequential proton transfer: a QM/QTAIM study
In this study for the first time we have revealed by QM and QTAIM calculations at the MP2/aug-cc-pVDZ//B3LYP/6-311++G(d,p) level of QM theory the novel routes of the mutagenic tautomerization of three biologically important A·T DNA base pairs – reverse Watson–Crick A·T(rWC), Hoogsteen A·T(H) and rev...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9079753/ https://www.ncbi.nlm.nih.gov/pubmed/35542561 http://dx.doi.org/10.1039/c8ra01446a |