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薛毅

薛毅

 

电子邮件:yixue@mail.tsinghua.edu.cn


研究方向: 

  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。


代表性科研论文:

1. Yi Xue, Brant Gracia, Daniel Herschlag, Rick Russell, and Hashim M. Al-Hashimi. Visualizing formation of an RNA folding intermediate through a fast highly modular secondary structure switch. Nature Communications, 7: 11768 (2016)

2. Aiming Ren*, Yi Xue*, Alla Peselis, Alexander Serganov, Hashim M. Al-Hashimi, and Dinshaw J. Patel. Structural and dynamic basis for low-affinity, high-selectivity binding of L-glutamine by the glutamine riboswitch. Cell Reports, 13(9) (2015): 1800–1813

3. Peixiang Ma*, Yi Xue*, Nicolas Coquelle, Jens D Haller, Tairan Yuwen, Isabel Ayala, Oleg Mikhailovskii, Dieter Willbold, Jacques-Philippe Colletier, Nikolai R Skrynnikov, Paul Schanda. Observing the overall rocking motion of a protein in a crystal. Nature Communications, 6:8361 (2015)

4. Yi Xue*, Tairan Yuwen*, Fangqiang Zhu, and Nikolai R. Skrynnikov. Role of electrostatic interactions in binding of peptides and intrinsically disordered proteins to their folded targets. 1. NMR and MD characterization of the complex between the c-Crk N-SH3 domain and the peptide Sos. Biochemistry, 53 (41) (2014): 6473–6495

5. Yi Xue, Joshua M. Ward, Tairan Yuwen, Ivan S. Podkorytov, and Nikolai R. Skrynnikov. Microsecond time-scale conformational exchange in proteins: using long molecular dynamics trajectory to simulate NMR relaxation dispersion data. Journal of the American Chemical Society, 134 (5) (2012):2555–2562

6. Yi Xue and Nikolai R. Skrynnikov. Motion of a disordered polypeptide chain as studied by paramagnetic relaxation enhancements, 15N relaxation, and molecular dynamics simulations: how fast is segmental diffusion in denatured ubiquitin? Journal of the American Chemical Society, 133 (37) (2011): 14614–14628

*: Equal contribution

 
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