教育经历
2002—2006北京大学物理学院 理学学士
2006—2012北京大学定量生物学中心 理学博士
2012—2016 The University of Kansas 博士后
2016—2021 华东师范大学化学与分子工程学院 副研究员
2021—今 复旦大学药学院药物化学系 副研究员
2018—2020 基金委青年科学基金 主持
2019—2022 上海市科委自然科学基金探索类项目 主持
2023—2027 基金委面上项目主持
人工智能蛋白质设计、生物大分子结构和功能模拟
采用机器学习和分子模拟等方法，在蛋白结构功能设计和性质预测、蛋白-小分子药物相互作用微观机理和预测、生物大分子模拟等方面取得了创新成果，目前已发表科研论文70余篇，谷歌学术总引用1.4万余次。
(1) Zhao, J.; Chen, Z.; Wei, Z.; Chen, M.; Chen, Y.; Liang, X.; Liu, C.; Wang, R.; Zou, X.; Yu, J.; Qi, Y.; Wang, C.; Li, C. AI-Assisted SERS Decodingof Dual Enzymatic Activityfor Intraoperative Chemical Mapping of Epilepsy. J. Am. Chem. Soc. 2026.
(2) Qian, J.; Yang, L.; Wang, R.; Qi, Y. Pro4S : Prediction of Protein Solubility by Fusing Sequence, Structure, and Surface. Protein Science2026, 35 (9), e70749.
(3) Zhang, Z.; Gao, R.; Zhao, M.; Zhang, X.; Gao, H.; Qi, Y.; Wang, R.; Li, Y. Computational Methods for Predicting Chemical Reactivity of Covalent Compounds. J. Chem. Inf. Model.2025, 65 (3), 1140–1154.
(4) Qian, J.; Yang, L.; Duan, Z.; Wang, R.; Qi, Y. PPAP: A Protein–Protein Affinity Predictor Incorporating Interfacial Contact-Aware Attention. J. Chem. Inf. Model.2025, 65 (19), 9987–9998.
(5) Chen, Z.; Wang, H.; Wang, R.; Qi, Y. ThermoSeek: An Integrated Web Resource for Sequence and Structural Analysis of Proteins from Thermophilic Species. J. Chem. Inf. Model.2025, 65 (12), 5827–5838.
(6) Zhang, X.; Gao, H.; Wang, H.; Chen, Z.; Zhang, Z.; Chen, X.; Li, Y.; Qi, Y.; Wang, R. PLANET: A Multi-Objective Graph Neural Network Model for Protein–Ligand Binding Affinity Prediction. J. Chem. Inf. Model.2024, 64 (7), 2205–2220.
(7) Liao, S.; Zhang, Y.; Han, X.; Wang, T.; Wang, X.; Yan, Q.; Li, Q.; Qi, Y.; Zhang, Z. A Sequence‐based Model for Identifying Proteins Undergoing Liquid–Liquid Phase Separation/Forming Fibril Aggregates via Machine Learning. Protein Sci.2024, 33 (3), 1–14.
(8) Chen, Z.; Ji, M.; Qian, J.; Zhang, Z.; Zhang, X.; Gao, H.; Wang, H.; Wang, R.; Qi, Y. ProBID-Net: A Deep Learning Model for Protein–Protein Binding Interface Design. Chem. Sci.2024, 15 (47), 19977–19990.
(9) Liao, S.; Zhang, Y.; Qi, Y.; Zhang, Z. Evaluation of Sequence-Based Predictors for Phase-Separating Protein. Brief. Bioinform. 2023, 1–10.
