郑明月，中国科学院上海药物研究所研究员、博士生导师、课题组长；国科大杭州高等研究院药物科学与技术学院，南京中医药大学人工智能和信息学院兼职导师。中国化学会计算机化学专业委员会委员，担任Elsevier出版社的Artificial Intelligence in the Life Sciences 期刊副主编。研究方向是基于人工智能和大数据的精准药物设计技术开发，发展机器学习算法和模型用于活性化合物的作用机制和靶点发现、新靶点活性化合物的发现和成药性优化。近年来，Immunity、Trends Pharmacol Sci、Circ Res、J Med Chem、等杂志发表SCI论文70余篇；申请发明专利和软件著作权20项。目前主持自然科学基金面上项目，作为课题负责人参与科学院个性化药物先导专项，国家新药创制重大专项和国家重点研发计划等项目。入选中科院青年创新促进会会员，腾讯AI Lab犀牛鸟专项研究计划；获得中国药学会施维雅青年药物化学奖，赛诺菲-中科院上海生科院优秀青年人才奖，上海市人才发展资金，药明康德生命化学研究奖等奖励和荣誉。
五篇代表论文：
1. Zhaoping, Xiong; Dingyan, Wang; Xiaohong, Liu; Feisheng, Zhong; Xiaozhe, Wan; Xutong, Li; Zhaojun, Li; Xiaomin, Luo; Kaixian, Chen; Hualiang, Jiang*; Mingyue, Zheng*. Pushing the boundaries of molecular representation for drug discovery with graph attention mechanism. J Med Chem.2020, 63, 16, 8749-8760.
2. Xutong, Li; Zhaojun, Li; Xiaolong, Wu; Zhaoping, Xiong; Tianbiao, Yang; Zunyun, Fu; Xiaohong, Liu; Xiaoqin, Tan; Feisheng, Zhong; Xiaozhe, Wan; Dingyan, Wang; Xiaoyu, Ding; Ruirui, Yang; hui Hou; Chunpu, Li; Hong, Liu; Kaixian, Chen; Hualiang, Jiang*; Mingyue， Zheng*. Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation. J Med Chem.2020, 63, 16, 8723-8737.
3. Hui, Xu; Biao, Ma; Zunyun, Fu; Han-Yuan, Li; Xing, Wang; Zhen-Yu, Wang; Ling-Jun, Li; Tai-Jin, Cheng; Mingyue, Zheng*; and Hui-Xiong, Dai* Ligand-Promoted Alkynylation of Aryl Ketones: A Practical Tool for Structural Diversity in Drugs and Natural Products. ACS Catal.2021, 11, 3, 1758–1764
4. Yang, Tianbiao; Li, Zhaojun; Chen, Yingjia; Feng, Dan; Wang, Guangchao; Fu, Zunyun; Ding, Xiaoyu; Tan, Xiaoqin; Zhao, Jihui; Luo, Xiaomin; Chen, Kaixian ; Jiang, Hualiang*; Zheng, Mingyue*. DrugSpaceX: A large screenable and synthetically tractable database extending drug space. Nucleic Acids Research. 2021, 49, D1, D1170–D1178.
5. Wang, Yan; Fu, Zunyun; Li, Xutong; Liang, Yinming; Pei, Siyu; Hao,Shumeng; Zhu, Qingchen; Yu, Tao; Pei, Yifei; Yuan, Jia; Ye, Jialin; Fu,Jiemeng; Xu, Jing; Hong, Jin; Yang, Ruirui; Hou, Hui; Huang, Xinfang; Peng,Chao; Zheng, Mingyue*; Xiao, Yichuan*; Cytoplasmic DNA sensing by KU complex in aged CD4+ T cell potentiates T cell activation and agingrelated autoimmune inflammation, Immunity, 2021, 54: 1-16.
Email: myzheng@simm.ac.cn