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Multi-stage virtual screening of natural products against p38α mitogen-activated protein kinase: predictive modeling by machine learning, docking study and molecular dynamics simulation

p38α is a mitogen-activated protein kinase (MAPK), and the signaling pathways involved are closely related to the inflammation, apoptosis and differentiation of cells, which also makes it an attractive target for drug discovery. With the high efficiency and low cost, virtual screening technology is...

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Detalles Bibliográficos
Autores principales:	Yang, Ruoqi, Zha, Xuan, Gao, Xingyi, Wang, Kangmin, Cheng, Bin, Yan, Bin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9465123/ https://www.ncbi.nlm.nih.gov/pubmed/36105464 http://dx.doi.org/10.1016/j.heliyon.2022.e10495

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