研究概述：结合冷冻电镜、虚拟筛选、分子动力学模拟和深度学习等方法，开展靶向膜蛋白药物的结构解析、机制研究与智能设计。通过冷冻电镜解析膜蛋白及其复合物的高分辨率结构，结合分子动力学模拟刻画其构象变化与动态调控过程，并利用虚拟筛选和深度学习技术实现候选分子的高效发现与理性优化。重点研究膜蛋白的配体识别机制、构象选择性及信号调控规律，推动靶向膜蛋白药物从结构基础研究向创新分子发现转化。

发表论文：

1.Zhao Yang#, Yu-Qi Ping#, Ming-Wei Wang #, Chao Zhang #, Shu-Hua Zhou#, Yue-Tong Xi#, Kong-Kai Zhu #, Wei Ding, Qi-Yue Zhang, Xiao Yu *, Peng Xiao*, Fan Yi *, Ines Liebscher*, Jin-Peng Sun*. Identification, structure and agonist design of an androgen membrane receptor. Cell 2025 Jan 23:S0092-8674(25)00035-2.

2.Hui Lin#, Chuanshun Ma#, Kui Cai#, Lulu Guo#, Xuemei Wang#, Lin Lv#, Chao Zhang#, Jun Lin#, Daolai Zhang, Chuan Ye, Xiao Yu*, Wei Kong*, Changtao Jiang* and Jin-Peng Sun*. Metabolic signaling of ceramides through the FPR2 receptor inhibits adipocyte thermogenesis. Science. 2025 Mar 13:eado4188.）

3.Zheng Y#, Jiang D#, Lu Y#, Zhang C#, Huang SM#, Lin H#, Zhang D#, Guo S#, Han J, Chen J, He Y, Zhang M, Gao Y, Guo Y, Wei R, Xia M, Qin Y, Liu Z, Yang F, Ge S, Yi F, Yu X, Lin H, Xiao P, Sun JP, Feng S. Development of an allosteric adhesion GPCR nanobody with therapeutic potential. Nat Chem Biol. 2025 May 15.

4.Mao C#, Xiao P#, Tao XN#, Qin J#, He QT#, Zhang C#, Guo SC, Du YQ, Chen LN, Shen DD, Yang ZS, Zhang HQ, Huang SM, He YH, Cheng J, Zhong YN, Shang P, Chen J, Zhang DL, Wang QL, Liu MX, Li GY, Guo Y, Xu HE, Wang C, Zhang C, Feng S*, Yu X*, Zhang Y*, Sun JP*. Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science. 2023 Apr 7;380(6640):eadd6220. (封面文章)

5.Fan Yang#, Lulu Guo#, Yu Li#, Guopeng Wang#, Jia Wang#, Chao Zhang#, Guo-Xing Fang, Xu Chen, Lei Liu, Xu Yan, Qun Liu, Changxiu Qu, Yunfei Xu, Peng Xiao, Zhongliang Zhu, Zijian Li, Jiuyao Zhou, Xiao Yu, Ning Gao* & Jin-Peng Sun*. Structure, function and pharmacology of human itch receptor complexes. Nature 600, 164–169 (2021).