Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations

[Image: see text] Janus kinases (JAK), a group of proteins in the nonreceptor tyrosine kinase (NRTKs) family, play a crucial role in growth, survival, and angiogenesis. They are activated by cytokines through the Janus kinase–signal transducer and activator of a transcription (JAK-STAT) signaling pa...

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Detalles Bibliográficos
Autores principales: Ojha, Anupam Anand, Srivastava, Ambuj, Votapka, Lane William, Amaro, Rommie E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10131228/
https://www.ncbi.nlm.nih.gov/pubmed/37023323
http://dx.doi.org/10.1021/acs.jcim.2c01589

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10131228/
https://www.ncbi.nlm.nih.gov/pubmed/37023323
http://dx.doi.org/10.1021/acs.jcim.2c01589

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