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A molecular dynamics investigation of CDK8/CycC and ligand binding: conformational flexibility and implication in drug discovery

Abnormal activity of cyclin-dependent kinase 8 (CDK8) along with its partner protein cyclin C (CycC) is a common feature of many diseases including colorectal cancer. Using molecular dynamics (MD) simulations, this study determined the dynamics of the CDK8-CycC system and we obtained detailed breakd...

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Bibliografske podrobnosti
izdano v:J Comput Aided Mol Des
Main Authors: Cholko, Timothy, Chen, Wei, Tang, Zhiye, Chang, Chia‑en A.
Format: Artigo
Jezik:Inglês
Izdano: 2018
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6440799/
https://ncbi.nlm.nih.gov/pubmed/29737445
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0120-3
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