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Effects of ionization on stability of 1-methylcytosine — DFT and PCM studies

Consequences of ionization were studied by quantum-chemical methods (DFT and PCM) for 1-methylcytosine (MC)—a model of the nucleobase cytosine (C) connected with sugar in DNA. For calculations, three prototropic tautomers (one amino and two imino forms) and two imino zwitterions were considered, inc...

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Detalles Bibliográficos
Autores principales: Raczyńska, Ewa D., Michalec, Piotr, Zalewski, Marcin, Sapuła, Mariusz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4893064/
https://www.ncbi.nlm.nih.gov/pubmed/27259531
http://dx.doi.org/10.1007/s00894-016-3020-2