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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

Biomacromolecules
Enhancing Protein Solubility via Glycosylation: From Chemical Synthesis to Machine Learning Predictions
J. Chem. Inf. Model
DeepP450: Predicting Human P450 Activities of Small Molecules by Integrating Pretrained Protein Language Model and Molecular Representation
All publications

Group Members

boxue
Boxue Tian
PI

boxuetian@mail.tsinghua.edu.cn

常嘉敏_头像
Jiamin Chang
Postdoc

    changjm1111@163.com    

贾蕊桢_头像
Ruizhen Jia
Postdoc

ruizhenjia@mail.tsinghua.edu.cn

张蓉
Rong Zhang
Graduate

zhangr18@mails.tsinghua.edu.cn

熊小亮
Xiaoliang Xiong
Graduate

xxl20@mails.tsinghua.edu.cn

陈何地
Hedi Chen
Graduate

chenhd21@mails.tsinghua.edu.cn

qk
Ke Qiu
Graduate

             qiu.ke@qq.com              

1
Yang Tian
Graduate

tiany21@mails.tsinghua.edu.cn

zxc
Xiaochun Zhang
Graduate

zhangxc22@mails.tsinghua.edu.cn

陈荆轲
Jingke Chen
Graduate

chenjk22@mails.tsinghua.edu.cn

钟憬锐
Jingrui Zhong
Graduate

zhongjr22@mails.tsinghua.edu.cn

苏子栋
Zidong Su
Graduate

szd22@mails.tsinghua.edu.cn

gl
Lin Guo
Graduate

gl23@mails.tsinghua.edu.cn

张宇明
Yuming Zhang
Graduate

   ymzhang_thu@163.com    

范逍宇
Xiaoyu Fan
Graduate

fan-xy19@mails.tsinghua.edu.cn

劳嘉欣
Jiaxin Lao
Graduate

      jx235711@gmail.com       

王珏_头像
Jue Wang
Undergraduate
杨志浩_头像
Zhihao Yang
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