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Insights into the Phosphoryl Transfer Mechanism of Cyclin-dependent Protein Kinases from Ab Initio QM/MM Free-energy Studies

Phosphorylation reactions catalyzed by kinases and phosphatases play an indispensible role in cellular signaling, and their malfunctioning is implicated in many diseases. A better understanding of the catalytic mechanism will help design novel and effective mechanism-based inhibitors of these enzyme...

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Main Authors: Smith, Gregory K., Ke, Zhihong, Guo, Hua, Hengge, Alvan C.
Format: Artigo
Jezik:Inglês
Izdano: 2011
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC3236095/
https://ncbi.nlm.nih.gov/pubmed/21999515
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp207532s
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