Markov state models elucidate the stability of DNA influenced by the chiral 5S-Tg base

The static and dynamic structures of DNA duplexes affected by 5S-Tg (Tg, Thymine glycol) epimers were studied using MD simulations and Markov State Models (MSMs) analysis. The results show that the 5S,6S-Tg base caused little perturbation to the helix, and the base-flipping barrier was determined to...

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Detalles Bibliográficos
Autores principales: Wang, Shu-dong, Zhang, Ru-bo, Eriksson, Leif A
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Computational Biology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9458442/
https://www.ncbi.nlm.nih.gov/pubmed/35979954
http://dx.doi.org/10.1093/nar/gkac691

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9458442/
https://www.ncbi.nlm.nih.gov/pubmed/35979954
http://dx.doi.org/10.1093/nar/gkac691

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