Yi XUE, Ph.D.

Principal Investigator

1993-1997        B.S.                Tsinghua University, Modern Applied Physics

1997-1999        Engineer        Start Computer Company

2000-2003        M.S.                Tsinghua University, Biological Science and Biotechnology

2004-2009        Ph.D.              Purdue University, Chemistry

2010-2013        Postdoc          Purdue University

2013-2016        Postdoc          University of Michigan; Duke University

2016-present    PI                    Tsinghua University


Research interest

Our primary research interests are focused on characterizing structure and dynamics of non-coding RNAs and intrinsically disordered proteins using solution NMR spectroscopy and computational approaches such as MD simulations. We aim to develop novel NMR techniques, labeling methods, and computational tools to study three-dimensional structure and conformational switch of large non-coding RNAs and ribonucleoproteins, which pose a significant challenge to existing methods. We are also interested in reconstructing conformational motion of highly flexible biomolecules, as well as ensemble-based virtual drug screening.

Selected publications

  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

Contact information

Email: yixue@mail.tsinghua.edu.cn

Phone: +86-10-62784766 (lab)