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Investigation on electronic structure, vibrational spectra, NBO analysis, and molecular docking studies of aflatoxins and selected emerging mycotoxins against wild-type androgen receptor

The geometry, frontier molecular orbitals (FMOs), vibrational, NBO analysis, and molecular docking simulations of aflatoxins (B1, B2, M1, M2, G1, G2), zearalenone (ZEA) emodin (EMO), alternariol (AOH), alternariol monoethyl ether (AMME), and tenuazonic acid (TeA) mycotoxins have been extensively the...

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Detalles Bibliográficos
Autores principales:	Agwupuye, John A., Neji, Peter A., Louis, Hitler, Odey, Joseph O., Unimuke, Tomsmith O., Bisiong, Emmanuel A., Eno, Ededet A., Utsu, Patrick M., Ntui, Tabe N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8319581/ https://www.ncbi.nlm.nih.gov/pubmed/34345733 http://dx.doi.org/10.1016/j.heliyon.2021.e07544

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