TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure PredictionWei Lu, Shuangjia Zheng, Qifeng Wu et al.|bioRxiv (Cold Spring Harbor Laboratory)|2022Cited by 166
DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative modelWei Lu, Shuangjia Zheng, Peter G. Wolynes et al.|Nature Communications|2024Cited by 165
Deep learning driven biosynthetic pathways navigation for natural products with BioNavi-NPShuangjia Zheng, Ruibo Wu, Tao Zeng et al.|Nature Communications|2022Cited by 155
Accelerated rational PROTAC design via deep learning and molecular simulationsShuangjia Zheng, Yuedong Yang, Zhenyu Wang et al.|Nature Machine Intelligence|2022Cited by 139