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Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins

Melatonin is a natural hormone from the pineal gland that regulates the sleep-wake cycle. We examined the structure and physico-chemical properties of melatonin using electronic structure methods and molecular-mechanics tools. Density functional theory (DFT) was used to optimise the ground-state geo...

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Detalles Bibliográficos
Autores principales:	Al-Zaqri, Nabil, Pooventhiran, T., Alsalme, Ali, Warad, Ismail, John, Athira M., Thomas, Renjith
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7443329/ https://www.ncbi.nlm.nih.gov/pubmed/32863490 http://dx.doi.org/10.1016/j.molliq.2020.114082

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