Computational Dissection of the Role of Trp305 in the Regulation of the Death-Associated Protein Kinase–Calmodulin Interaction

Computational Dissection of the Role of Trp305 in the Regulation of the Death-Associated Protein Kinase–Calmodulin Interaction

Death-associated protein kinase 1 (DAPK1), as a calcium/calmodulin (CaM) regulated serine/threonine kinase, functions in apoptotic and autophagy pathways and represents an interesting drug target for inflammatory bowel disease and Alzheimer’s disease. The crystal structure of the DAPK1 catalytic dom...

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Bibliographic Details
Main Authors: Yu-Ping Zhu, Xin-Yi Gao, Guo-Hui Xu, Zhao-Fu Qin, Hai-Xing Ju, De-Chuan Li, De-Ning Ma
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Biomolecules
Subjects:
death-associated protein kinase 1 (DAPK1)
calmodulin
molecular dynamics simulations
principal component analysis
binging free energy calculation
Online Access:https://www.mdpi.com/2218-273X/12/10/1395

Internet

https://www.mdpi.com/2218-273X/12/10/1395

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