夏杰，江苏苏州人，现任职于中国医学科学院/北京协和医学院药物研究所，副研究员、硕士生导师、五级课题组长。2015年毕业于北京大学药学院，获药物化学专业博士学位（导师:张亮仁教授）。2012-2014作为公派联合培养博士生在美国华盛顿哥伦比亚特区AIDS研究中心学习分子信息学与计算机科学。主要从事药物先导结构的发现与优化，方向为计算机辅助药物设计和人工智能药物设计的算法研究与应用实践，发展了MUBD和PFE等多种药物设计新方法，并发现了多个高质量的药物先导结构。已发表第一/通讯作者SCI论文20篇，代表性论文发表于J. Chem. Inf. Model. （5篇）、Eur. J. Med. Chem.（3篇）等业界公认的分子信息学与药物化学权威期刊；作为主要发明人（排名前3）获得授权发明专利4项，获得计算机软件著作权登记证书4项，参编著作1部；参与研发的治疗非酒精性肝炎候选药物IMM-H014已实现成果转化，并获临床批件；主持了国家自然科学基金面上/青年项目、科技部重大新药创制科技重大专项子任务、国家外国专家局项目等多个国家级科研项目；曾荣获第十一届“挑战杯”全国大学生课外学术科技作品竞赛国家级二等奖（个人作品）、国家留学奖学金等奖项。

1. 分子信息学与药物设计：虚拟筛选、计算机辅助药物设计的新方法
2. 药物先导结构发现与优化：非酒精性脂肪肝病、耐药细菌感染等的治疗药物研究

全部论文：
OCRID: https://orcid.org/0000-0002-9567-3763
Github: https://github.com/jwxia2014
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. 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.
2. Jie Xia, Terry-Elinor Reid, Song Wu, Liangren Zhang*, Xiang Simon Wang*, Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis. Journal of Chemical Information and Modeling, 2018, 58(5):1104-1120
3. 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
4. Jie Xia, Ermias Lemma Tilahun, Eyob Hailu Kebede, Terry-Elinor Reid, Liangren Zhang*, Xiang Simon Wang*, Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families, Journal of Chemical Information and Modeling, 2015, 55(2): 374-388
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.
6. Shan Li, Yu Ding, Miaomiao Chen, Ya Chen, Johannes Kirchmair, Zihao Zhu, Song Wu, Jie Xia*, HDAC3i-Finder: A machine learning-based computational tool to screen for HDAC3 inhibitors, Molecular Informatics, 2021, 40, 2000105.
7. Jie Xia#, Shan Li#, Yu Ding, Song Wu*, Xiang Simon Wang*, MUBD-DecoyMaker 2.0: A Python GUI application to generate maximal unbiased benchmarking data sets for virtual drug screening, Molecular Informatics,2020,39,1900151
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.

张亮仁主编，《常用计算机辅助药物设计软件教程》，中国医药科技出版社，2017，编委（第9章）

1. 4-羟基-2-喹诺酮-氮-(4-喹唑啉酮)-3-甲酰胺类衍生物，ZL201810033326.2
2. 1-取代苯甲酰基-4-脂酰基氨基脲类衍生物、制备方法及作为抗菌药物的用途，ZL201810091202.X
3. 芳基或杂芳基取代的噻二唑类化合物及其抗菌用途，ZL201910672950.1
4. 1,3-二氧代异吲哚啉苯甲酰胺类化合物及其用途, ZL201810424993.3
5. 软件著作权登记证书，面向药物发现的最大无偏好性基准数据集计算软件V1.0， 2019SR1278580
6. 软件著作权登记证书，面向药物发现的最大无偏好性基准数据集计算软件V3.0， 2023SR0300248

2012-2014，国家留学奖学金，教育部国家留学基金管理委员会
2009，第十一届“挑战杯”全国大学生课外学术科技作品竞赛二等奖，中国共产主义青年团中央委员会、中国科协、教育部、工业与信息化部、全国学联、北京市人民政府
2008，全国大学生数学建模竞赛三等奖，中国工业与应用数学学会、江苏省教育厅