Research
Reaction Prediction
Integrating QM and AI for product and reaction condition prediction
Drug Design
AI-aided design for small molecules and antibodies
Enzyme Function Prediction
Predicting and optimizing functions for terpene synthases and P450s
Recent work
Neuron
An intermediate open structure reveals the gating transition of the mechanically activated PIEZO1 channel
Preprint
Enhancing Enzyme Activity with Mutation Combinations Guided by Few-shot Learning and Causal Inference
Group Members

















Jue Wang
Undergraduate

Zhihao Yang
Undergraduate

Xuhai Huang
Undergraduate
Former Members
Weiming Mi
Postdoc
Rongqing Yuan
Undergraduate
Buming Gu
Undergraduate
Yufan Liu
Master
Zhi Wang
Undergraduate
Mengyao Zhang
Undergraduate
Huizhong Peng
Undergraduate
Yuhan Xiang
Undergraduate
Zihui Ma
Undergraduate