Lei Xu

19PUBLICATIONS
18CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsDeep learningEnvironmental biogeochemistryProteins and peptidesBioinformatic methods development
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Publications (19)

|Feb 12, 2026
Discovery of Novel HPK1 Inhibitors via High-Throughput Virtual Screening, Biological Evaluation, and Molecular Dynamics Simulation.

Xinglong Chi, Yiqun Chu, Roufen Chen

|Apr 13, 2024
Developing an Improved Cycle Architecture for AI-Based Generation of New Structures Aimed at Drug Discovery.

Chun Zhang, Liangxu Xie, Xiaohua Lu

|Jan 17, 2024
Decision tree-based identification of important molecular fragments for protein-ligand binding.

Baiyi Li, Yunsong Wang, Zuode Yin

|Nov 25, 2023
Application of Machine Learning Methods to Predict the Air Half-Lives of Persistent Organic Pollutants.

Ying Zhang, Liangxu Xie, Dawei Zhang

|Oct 28, 2023
Identification of Potential JNK3 Inhibitors: A Combined Approach Using Molecular Docking and Deep Learning-Based Virtual Screening.

Chenpeng Yao, Zheyuan Shen, Liteng Shen

|Aug 04, 2023
A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powers.

Chao Shen, Xujun Zhang, Chang-Yu Hsieh

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Frequent Collaborators

4 joint publications

Jingyu Zhu

4 joint publications

Xiaojun Xu

2 joint publications

Liangxu Xie

1 joint publications

Tianhao Wang