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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...
Autores principales: | Ojha, Anupam Anand, Srivastava, Ambuj, Votapka, Lane William, Amaro, Rommie E. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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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 |
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