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Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis

Due to the genetic similarity between SARS-CoV-2 and SARS-CoV, the present work endeavored to derive a balanced Quantitative Structure−Activity Relationship (QSAR) model, molecular docking, and molecular dynamics (MD) simulation studies to identify novel molecules having inhibitory potential against...

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Detalles Bibliográficos
Autores principales:	Zaki, Magdi E. A., Al-Hussain, Sami A., Masand, Vijay H., Akasapu, Siddhartha, Bajaj, Sumit O., El-Sayed, Nahed N. E., Ghosh, Arabinda, Lewaa, Israa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8070011/ https://www.ncbi.nlm.nih.gov/pubmed/33924395 http://dx.doi.org/10.3390/ph14040357

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