●  研究兴趣、领域：

我们主要运用液态核磁共振技术和计算生物学方法（特别是分子动力学模拟）来研究非编码RNA和固有无序蛋白的结构和动态特性。我们致力于发展新的核磁手段，样品标记方法，以及计算工具来研究大的非编码RNA和核糖核酸蛋白复合物的三维结构和构象变化。我们也致力于发展新的计算方法把实验上获得的各种数据结合起来对构象高度可变的生物大分子进行结构建模，并且在此基础上开展高通量药物筛选。

●  代表性论文：

1. Liu N, Mikhailovskii O, Skrynnikov NR* and Xue Y* . (2023). Simulating diffraction photographs based on molecular dynamics trajectories of a protein crystal: a new option to examine structure-solving strategies in protein crystallography. IUCrJ 10, 16-26

2.   Luan X, Li X, Li Y, Su G, Yin W, Jiang Y, Xu N, Wang F, Cheng W, Jin Y, Zhang L, Xu HE*, Xue Y* and Zhang S*. (2022). Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Science Bulletin 67, 2327-2335

3.   He W, Li X, Xue H, Yang Y, Mencius J, Bai L, Zhang J, Xu J, Wu B, Xue Y* and Quan S*. (2022). Insights into the client protein release mechanism of the ATP-independent chaperone Spy. Nat. Commun. 13, 2818

4.   Han G and Xue Y*. (2022). Rational design of hairpin RNA excited states reveals multi-step transitions. Nat. Commun. 13, 1523

5.   Li W, Kou J, Qin J, Li L, Zhang Z, Pan Y, Xue Y* and Du W*. (2021). NADPH levels affect cellular epigenetic state by inhibiting HDAC3–Ncor complex. Nat. Metab. 3, 75-89

6.   Cao J and Xue Y* . (2021). Characteristic chemical probing patterns of loop motifs improve prediction accuracy of RNA secondary structures. Nucleic Acids Res. 49, 4294-4307

7.   Wang Y, Han G, Jiang X, Yuwen T and Xue Y* . (2021). Chemical shift prediction of RNA imino groups: application toward characterizing RNA excited states. Nat. Commun. 12, 1595

8.   Song Y, Zhang Y, Pan Y, He J, Wang Y, Chen W, Guo J, Deng H, Xue Y* , Fang X* and Liang X*. (2020). The microtubule end-binding affinity of EB1 is enhanced by a dimeric organization that is susceptible to phosphorylation. J. Cell Sci . 133, jcs241216

●  联系方式：

电子邮件：yixue@mail.tsinghua.edu.cn

电话：010-62784766 (实验室)