Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design
Yang Yu,Junhong Huang,Hu He, Jing Han,Geyan Ye,Tingyang Xu,Xianqiang Sun, Xiumei Chen, Xiaoming Ren, Chunlai Li,Huijuan Li,Wei Huang,Yangyang Liu,Xinjuan Wang, Yongzhi Gao, Nianhe Cheng, Na Guo, Xibo Chen, Jianxia Feng, Yuxia Hua, Chong Liu,Guoyun Zhu,Zhi Xie,Lili Yao,Wenge Zhong, Xinde Chen,Wei Liu,Hailong Li ACS MEDICINAL CHEMISTRY LETTERS（2023）
关键词
ovarian cancer,CDK2 inhibitor,macrocycle,generative models,SBDD
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