Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US Simulation
Author:
Affiliation:
1. Centre for Artificial Intelligence Driven Drug Discovery, Faculty of Applied Sciences, Macao Polytechnic University, Macao 999078, China
2. Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, Jiangsu, P. R. China
Funder
National Natural Science Foundation of China
Macao Polytechnic University
Science and Technology Development Fund, Macau, SAR
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c01196
Reference59 articles.
1. Structure-Based Design of Selective Noncovalent CDK12 Inhibitors
2. Discovery and resistance mechanism of a selective CDK12 degrader
3. Quantifying CDK inhibitor selectivity in live cells
4. Cyclin-dependent kinase (CDK) inhibitors in solid tumors: a review of clinical trials
5. Kinase drug discovery 20 years after imatinib: progress and future directions
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