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Theoretical Studies on Selectivity of HPK1/JAK1 Inhibitors by Molecular Dynamics Simulations and Free Energy Calculations

Hematopoietic progenitor kinase 1 (HPK1) is a negative regulator of T cell receptor, which has been regarded as a potential target for immunotherapy. Yu et al. observed the off-target effect of the high-throughput screening HPK1 kinase inhibitor hits on JAK1 kinase. The off-target effect is usually...

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Detalles Bibliográficos
Autores principales:	Ge, Huizhen, Tang, Chunchao, Pan, Yiting, Yao, Xiaojun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9916865/ https://www.ncbi.nlm.nih.gov/pubmed/36768974 http://dx.doi.org/10.3390/ijms24032649

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