Datasets comprising the quality validations of simulated protein-ligand complexes and SYBYL docking scores of bioactive natural compounds as inhibitors of Mycobacterium tuberculosis protein-targets

Docking scores and simulation parameters to study the potency of natural compounds against protein targets in Mycobacterium tuberculosis (Mtb) were retrieved through molecular docking and in-silico structural investigation. The molecular docking datasets comprised 15 natural compounds, seven convent...

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Detalles Bibliográficos
Autores principales: Miryala, Sravan Kumar, Basu, Soumya, Naha, Aniket, Debroy, Reetika, Ramaiah, Sudha, Anbarasu, Anand, Natarajan, Saravanan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9035630/
https://www.ncbi.nlm.nih.gov/pubmed/35479419
http://dx.doi.org/10.1016/j.dib.2022.108146

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9035630/
https://www.ncbi.nlm.nih.gov/pubmed/35479419
http://dx.doi.org/10.1016/j.dib.2022.108146

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