沈超

男， 浙江大学医学院附属第一医院， 教授/研究员/教授级高工或同等级别

学习/工作经历

2013.9 – 2017.6 浙江大学 药学院 药学 学士（导师：侯廷军 教授）
2017.9 – 2022.6 浙江大学 药学院 药物化学 博士（导师：侯廷军 教授）
2022.7 – 2024.6 浙江大学 智能创新药物研究院 博士后（合作导师：侯廷军 教授 /吴健 教授）
2024.7 – 至今 浙江大学医学院附属第一医院 特聘研究员

研究领域和兴趣

计算机辅助药物设计；化学信息学与人工智能

主要业绩

申请人长期从事基于AI 的蛋白-配体打分、对接及虚拟筛选方法的开发、评测和应用研究。针对传统分子对接算法预测精度较低、计算效率不足、无法满足虚拟筛选需求等缺陷，对AI 对接领域的若干关键问题进行探索，并将新型AI 技术巧妙地引入到打分及对接方法的设计中，开发了包括RTMScore、CarsiDock 在内的系列高精度方法，将其集成至自主研发的一站式AI 药物设计平台DrugFlow，并应用于AR、XPO1 等重要药物靶标。近年来参与发表SCI 论文60 余篇，其中以第一或通讯作者（含并列）在Nat Mach Intell、Chem Sci、J Med Chem、Acta PharmSin B 等本领域重要期刊发表论文20 篇；申请国家发明专利2 项，获软件著作权2 项；Google Scholar 总引用超过5400 次，H 因子34；担任Sci Rep 编委、ACS Med Chem Lett 和Innov Drug Discov 青年编委以及Trends Pharmacol Sci、Patterns 等近70余个国内外期刊的特邀审稿人；主持包括国自然青年项目（C 类）在内的国家及省部级项目共3 项，曾入选博士后国资计划并获科研业绩评估考核资助；2024年起连续两年入选全球前2%顶尖科学家“年度影响力”榜单。

代表成果

1. Chao Shen* (co-corresponding), Xujun Zhang, Shukai Gu, Odin Zhang, Qinghan Wang, Gang Du, Yihao Zhao, Linlong Jiang, Peichen Pan, Yu Kang, Qingwei Zhao, Chang-Yu Hsieh, Tingjun Hou*, Unlocking the application potential of AlphaFold3-like approaches in virtual screening. Chemical Science, 2026, 17, 2858-2879. DOI: 10.1039/d5sc06481c.
2. Chao Shen, Hongyan Du, Xujun Zhang, Shukai Gu, Heng Cai, Yu Kang, Peichen Pan, Qingwei Zhao, Tingjun Hou*, CarsiDock-Cov: A deep learning-guided approach for automated covalent docking and screening. Acta Pharmaceutica Sinica B, 2025, 15, 5758-5771. DOI: 10.1016/j.apsb.2025.07.043.
3. Chao Shen#, Xiaoqi Han#, Heng Cai#, Tong Chen, Yu Kang, Peichen Pan, Xiangyang Ji, Chang-Yu Hsieh*, Yafeng Deng*, Tingjun Hou*, Improving the Reliability of Language Model-Predicted Structures as Docking Targets through Geometric Graph Learning, Journal of Medicinal Chemistry, 2025, 68, 1956-1969. DOI: 10.1021/acs.jmedchem.4c02740.
4. Shukai Gu#, Chao Shen# (co-first), Xujun Zhang#, Huiyong Sun, Heng Cai, Hao Luo, Huifeng Zhao, Bo Liu, Hongyan Du, Yihao Zhao, Chenggong Fu, Silong Zhai, Yafeng Deng, Huanxiang Liu, Tingjun Hou*, Yu Kang*, Benchmarking AI-powered docking methods from the perspective of virtual screening, Nature Machine Intelligence, 2025, 7, 509-520. DOI: 10.1038/s42256-025-00993-0.
5. Heng Cai#, Chao Shen# (co-first), Tianye Jian, Xujun Zhang, Tong Chen, Xiaoqi Han, Zhuo Yang, Wei Dang, Chang-Yu Hsieh, Yu Kang, Peichen Pan, Xiangyang Ji, Jianfei Song*, Tingjun Hou*, Yafeng Deng*, CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training, Chemical Science, 2024, 15, 1449-1471. DOI: 10.1039/d3sc05552c.
6. Chao Shen#, Jianfei Song#, Chang-Yu Hsieh, Dongsheng Cao, Yu Kang, Wenling Ye, Zhenxing Wu, Jike Wang, Odin Zhang, Xujun Zhang, Hao Zeng, Heng Cai, Yu Chen, Linkang Chen, Hao Luo, Xinda Zhao, Tianye Jian, Tong Chen, Dejun Jiang, Mingyang Wang, Qing Ye, Jialu Wu, Hongyan Du, Hui Shi, Yafeng Deng*, Tingjun Hou*, DrugFlow: an AI-driven one-stop platform for innovative drug discovery, Journal of Chemical Information and Modeling, 2024, 64, 5381-5391. DOI: 10.1021/acs.jcim.4c00621.
7. Chao Shen, Xujun Zhang, Chang-Yu Hsieh, Yafeng Deng, Dong Wang, Lei Xu, Jian Wu, Dan Li, Yu Kang*, Tingjun Hou*, Peichen Pan*, A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powers, Chemical Science, 2023, 14, 8129-8146. DOI: 10.1039/d3sc02044d.
8. Chao Shen, Xujun Zhang, Yafeng Deng, Junbo Gao, Dong Wang, Lei Xu, Peichen Pan*, Tingjun Hou*, Yu Kang*, Boosting Protein-Ligand Binding Pose Prediction and Virtual Screening Based on Residue-Atom Distance Likelihood Potential and Graph Transformer, Journal of Medicinal Chemistry, 2022, 65, 10691-10706. DOI: 10.1021/acs.jmedchem.2c00991.
9. Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Jinping Pang, Gaoang Wang, Haiyang Zhong, Lei Xu, Dongsheng Cao*, Tingjun Hou*, Beware of the generic machine learning-based scoring functions in structure-based virtual screening, Briefings in Bioinformatics, 2021, 22, bbaa070. DOI: 10.1093/bib/bbaa070.
10. Chao Shen#, Junjie Ding#, Zhe Wang, Dongsheng Cao, Xiaoqin Ding, Tingjun Hou, From machine learning to deep learning: Advances in scoring functions for protein–ligand docking. WIRES Comput. Mol. Sci. 2020, 10, e1429. DOI: 10.1002/wcms.1429.

*以上信息由高级会员个人更新和维护。