Biomolecules of 2-Thiouracil, 4-Thiouracil and 2,4-Dithiouracil: A DFT Study of the Hydration, Molecular Docking and Effect in DNA:RNAMicrohelixes

The molecular structure of 2-thiouracil, 4-thiouracil and 2,4-dithiouracil was analyzed under the effect of the first and second hydration shell by using the B3LYP density functional (DFT) method, and the results were compared to those obtained for the uracil molecule. A slight difference in the wat...

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Detalles Bibliográficos
Autores principales: Alcolea Palafox, M., Franklin Benial, A. Milton, K. Rastogi, V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6678171/
https://www.ncbi.nlm.nih.gov/pubmed/31311161
http://dx.doi.org/10.3390/ijms20143477

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6678171/
https://www.ncbi.nlm.nih.gov/pubmed/31311161
http://dx.doi.org/10.3390/ijms20143477

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