Multi-level Quantum Mechanics and Molecular Mechanics Study of Ring Opening Process of Guanine Damage by Hydroxyl Radical in Aqueous Solution

Combining multi-level quantum mechanics theories and molecular mechanics with an explicit water model, we investigated the ring opening process of guanine damage by hydroxyl radical in aqueous solution. The detailed, atomic-level ring-opening mechanism along the reaction pathway was revealed in aque...

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Detalles Bibliográficos
Autores principales: Liu, Peng, Wang, Qiong, Niu, Meixing, Wang, Dunyou
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5552687/
https://www.ncbi.nlm.nih.gov/pubmed/28798372
http://dx.doi.org/10.1038/s41598-017-08219-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5552687/
https://www.ncbi.nlm.nih.gov/pubmed/28798372
http://dx.doi.org/10.1038/s41598-017-08219-z

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