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Deciphering Selectivity Mechanism of BRD9 and TAF1(2) toward Inhibitors Based on Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations

BRD9 and TAF1(2) have been regarded as significant targets of drug design for clinically treating acute myeloid leukemia, malignancies, and inflammatory diseases. In this study, multiple short molecular dynamics simulations combined with the molecular mechanics generalized Born surface area method w...

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Detalles Bibliográficos
Autores principales:	Wang, Lifei, Wang, Yan, Yu, Yingxia, Liu, Dong, Zhao, Juan, Zhang, Lulu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10052767/ https://www.ncbi.nlm.nih.gov/pubmed/36985555 http://dx.doi.org/10.3390/molecules28062583

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