Integrating concept of pharmacophore with graph neural networks for chemical property prediction and interpretation

por Kong, Yue, Zhao, Xiaoman, Liu, Ruizi, Yang, Zhenwu, Yin, Hongyan, Zhao, Bowen, Wang, Jinling, Qin, Bingjie, Yan, Aixia
Publicado 2022

Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus

por Zhang, Yuting, Gao, Hongxia, Hu, Xiaohui, Wang, Qisheng, Zhong, Fanglin, Zhou, Xuelan, Lin, Cheng, Yang, Yang, Wei, Junkang, Du, Weian, Huang, Huaiqiu, Zhou, Huan, He, Wei, Zhang, Hua, Zhang, Yuting, McCormick, Peter J., Fu, Jinheng, Wang, Dan, Fu, Yang, Lu, Xiaolu, Zhang, Tengfei, Duan, Jingjing, Qin, Bingjie, Jiang, Haihai, Luo, Jun, Zhang, Yan, Chen, Qi, Luo, Qunfeng, Cheng, Lin, Zhang, Zheng, Zhang, Jin, Li, Jian
Publicado 2022