A 3D pocket-aware lead optimization model with knowledge guidance and its application for discovery of new glutaminyl cyclase inhibitors
基于知识指导的三维口袋感知先导化合物优化模型及其在发现新型谷氨酰环化酶抑制剂中的应用
期刊:Briefings in Bioinformatics
影响因子:7.7
doi:10.1093/bib/bbaf345
Qiao, Anjie; Chen, Yuting; Xie, Junjie; Huang, Weifeng; Zhang, Hao; Deng, Qirui; Rao, Jiahua; Deng, Ji; Meng, Fanbo; Wang, Zhen; Xu, Mingyuan; Chen, Hongming; Xie, Jiancong; Zheng, Shuangjia; Yang, Yuedong; Li, Guo-Bo; Lei, Jinping