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Inactive-to-Active Transition of Human Thymidine Kinase 1 Revealed by Molecular Dynamics Simulations

[Image: see text] Despite its importance in the nucleoside (and nucleoside prodrug) metabolism, the structure of the active conformation of human thymidine kinase 1 (hTK1) remains elusive. We perform microsecond molecular dynamics simulations of the inactive enzyme form bound to a bisubstrate inhibi...

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Detalles Bibliográficos
Autores principales: Makurat, Samanta, Cournia, Zoe, Rak, Janusz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8757434/
https://www.ncbi.nlm.nih.gov/pubmed/34919400
http://dx.doi.org/10.1021/acs.jcim.1c01157

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