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Updated: May 21, 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

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使用强化学习 (宏观跳跃) 设计宏循环基因酶抑制剂 宏循环脚手架跳跃

Hong Liang1, Shengjie Huang1, Xinxin Xu1

  • 1State Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education, Guangzhou City Key Laboratory of Precision Chemical Drug Development, School of Pharmacy, Jinan University, Guangzhou 510632, China.

Journal of medicinal chemistry
|March 18, 2025
PubMed
概括

一个新的AI框架Macro-Hop快速设计用于药物发现的宏循环. 这种方法产生了强大的PDGFRα D842V激酶抑制剂,证明了加速的治疗发展.

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