Xuanxuan Li

Contact Information

Email: lixx11@csrc.ac.cn
Github: https://github.com/lixx11


2015-Present: Joint Ph.D. student of BCSRC(Beijing Computational Science Research Center) & Tsinghua University.
2011-2015: B.S. in Tsinghua University.


Feb. 2016-Present[BCSRC]: Study binding mechanism of CXCR1(C-X-C motif chemokine receptor 1) using MD approach.
Feb. 2015-Present[BCSRC]: Analyse XFEL single particle scattering pattern to recover the size and orientation information.
Apr.2015-Present[THU]: Develop and maintain summer camp website.
Jan. 2016[KIAS]: Attend 15th protein folding winter school hosted by KIAS and give oral presentation on group project to study threonine dipeptide preferred beta-carbon chiral form.
May. 2015[Shaoxing,Zhejiang]: Attend 9th ABA(Asian Biophysics Association) Symposium and present a poster of results of XFEL single particle data analysis.


  • Li, Xuanxuan, et al. “Diffraction data of core-shell nanoparticles from an X-ray free electron laser.” Scientific Data 4 (2017).
  • Hua, Tian, et al. “Crystal structures of agonist-bound human cannabinoid receptor CB1.” Nature 547.7664 (2017): 468-471.
  • Guan, Zhe, et al. “Origin of the Reflectin Gene and Hierarchical Assembly of Its Protein.” Current Biology 27.18 (2017): 2833-2842.
  • Li, Xuanxuan, et al. “Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination.” IUCrJ 4.6 (2017).


  • MD simulation with Gromacs
  • Python, Shell, Web programming
  • Git version control
  • High-performance computing
  • Machine Learning / Deep Learning

Honors & Awards

  • 2015 [ABA2015] Young Scientist Travel Award.
  • 2017 [CSRC] Best Performance Student, Third Prize

Richard Feynman

“everything that is living can be understood in terms of the jiggling and wiggling of atoms”.

and now, we want to watch atoms jiggling and wiggling.

X-rays, electrons, fluorescence light, the advances of photon sciences, together with computational modeling, are making this happen.