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Updated: Sep 20, 2025

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
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Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

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Stable H-bond networks are crucial for selective CDK4 inhibition revealed from comprehensive in silico investigation

Zhigang Zhang1, Baichun Hu1, Johnson Joseph1

  • 1Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China; School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China; Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, Shenyang Pharmaceutical University, Shenyang 110016, China.

Computational Biology and Chemistry
|June 6, 2022
PubMed

Keywords:
Binding patternsCDK inhibitorIn silicoMolecular dynamics simulationSelective inhibition

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