全部论文：OCRID: https://orcid.org/0000-0002-9567-3763
代表性论文：
研究方向一：分子信息学与药物设计（计算机化学）
1. Tao Shen, Shan Li, Xiang Simon Wang, Dongmei Wang*, Song Wu*, Jie Xia*, Liangren Zhang, Deep reinforcement learning enables better bias control in benchmark for virtual screening, Computers in Biology and Medicine, 2024, 171, 108165.
2. Tao Shen, Jiale Guo, Zunsheng Han, Gao Zhang, Qingxin Liu, Xinxin Si, Dongmei Wang*, Song Wu*, Jie Xia*. AutoMolDesigner for Antibiotic Discovery: An AI-Based Open-Source Software for Automated Design of Small-Molecule Antibiotics, Journal of Chemical Information and Modeling, 2024, 64(3): 575-583
3. Jie Xia#, Zhenyi Wang#, Yi Huan#, Wenjie Xue, Xing Wang, Yuxi Wang, Zhenming Liu, Jui-Hua Hsieh, Liangren Zhang, Song Wu*, Zhu-fang Shen*, Hongmin Zhang*, Xiang Simon Wang*, Pose Filter-based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists, Journal of Chemical Information and Modeling, 2020, 60(3), 1202-1214.
4. Jie Xia, Jui-Hua Hsieh, Huabin Hu, Song Wu*, and Xiang Simon Wang*. The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening, Journal of Chemical Information and Modeling, 2017, 57 (6), 1414–1425
5. Jie Xia, Hongwei Jin, Zhenming Liu, Liangren Zhang*, Xiang Simon Wang*, An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs, Journal of Chemical Information and Modeling, 2014, 54(5): 1433-1450.
研究方向二：先导结构发现与优化（合成药物化学）
1. Tong Qin#, Xuefeng Gao#, Lei Lei, Jing Feng, Wenxuan Zhang, Yuhua Hu, Zhufang Shen, Zhenming Liu, Yi Huan*, Song Wu*, Jie Xia*, Liangren Zhang, Machine learning- and structure-based discovery of a novel chemotype as FXR agonists for potential treatment of nonalcoholic fatty liver disease. European Journal of Medicinal Chemistry, 2023, 252: 115307.
2. Tong Qin#, Xuefeng Gao#, Lei Lei, Wenxuan Zhang, Jing Feng, Xing Wang, Zhufang Shen, Zhenming Liu, Yi Huan*, Song Wu*, Jie Xia*, Liangren Zhang, Structural optimization and biological evaluation of 1-adamantylcarbonyl-4-phenylpiperazine derivatives as FXR agonists for NAFLD, European Journal of Medicinal Chemistry, 2023, 245: 114903.
3. Wenjie Xue, Xueyao Li, Guixing Ma, Hongmin Zhang, Ya Chen, Johannes Kirchmair, Jie Xia*, Song Wu*, N-Thiadiazole-4-Hydroxy-2-Quinolone-3-Carboxamides Bearing Heteroaromatic Rings as Novel Antibacterial Agents: Design, Synthesis, Biological Evaluation and Target Identification, European Journal of Medicinal Chemistry, 2020, 188:112022.
4. Xu Lian, Zhonghua Xia, Xueyao Li, Pavel Karpov, Hongwei Jin, Igor V. Tetko, Jie Xia*, Song Wu*, Anti-MRSA Drug Discovery by Ligand-based Virtual Screening and Biological Evaluation, Bioorganic Chemistry, 2021, 114: 105042.
5. Wenjie Xue, Jinlong Tian, Xiang Simon Wang, Jie Xia*, Song Wu*. Discovery of potent PTP1B inhibitors via structure-based drug design, synthesis and in vitro bioassay of Norathyriol derivatives. Bioorganic Chemistry, 2019, 86, 224-234.
