Molecular dynamics simulations of the conformational plasticity in the active pocket of salt-inducible kinase 2 (SIK2) multi-state binding with bosutinib

Molecular dynamics simulations of the conformational plasticity in the active pocket of salt-inducible kinase 2 (SIK2) multi-state binding with bosutinib

The kinase domain is highly conserved among protein kinases 'in terms of both sequence and structure. Conformational rearrangements of the kinase domain are affected by the phosphorylation of residues and the binding of kinase inhibitors. Interestingly, the conformational rearrangement of the a...

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Bibliographic Details
Main Authors: Mingsong Shi, Lun Wang, Kongjun Liu, Yong Chen, Mengshi Hu, Linyu Yang, Jun He, Lijuan Chen, Dingguo Xu
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Conformational diversities
Active pocket
Salt-inducible kinase 2
Bosutinib
Molecular dynamics simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037022001933

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