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We are a group with research focus on computational structural biology. If you are interested in joining us (as a visiting scholar or student/postdoc), please send email to PI: hgliu –AT–

There are several positions available, details can be found here.

Group Leader

  • 2003 B.Sc. (First Class Honor) Physics, Hong Kong Baptist University
  • 2009 Ph.D. Applied Science, University of California, Davis
  • Postdoctoral Research Fellow, Lawrence Berkeley National Laboratory (2009 - 2011)
  • Postdoctoral Research Fellow Arizona State University (2011 - 2014)

Postdoctoral Fellow

  • 2006 BSc. Molecular Biotechnology and Biotechnology, University of Dar es Salaam
  • 2011 MSc. Biotechnological Engineering, Universitat Politècnica de Catalunya (Barcelona Tech.)
  • 2016 PhD. Molecular Engineering (Biotechnology), Universitat Politècnica de Catalunya (Barcelona Tech.)
  • Molecular Biologist, Ifakara Health Institute (2006-2008)
  • Research Assistant, Laboratory of Molecular Engineering-Barcelona Tech. (2011-2017)

Dr. Ruban Durairaj D


  • 2011 BSc. Biotechnology, Pondicherry University Community College, INDIA
  • 2014 MSc. Bioinformatics, Pondicherry University, INDIA
  • 2018 PhD. Bioinformatics, Bharathiar University, INDIA
  • Molecular Dynamics Simulation of Biomolecules
  • Molecular Docking
  • Computer programming for Biology

Graduate Students

Intern Students

Undergraduate Students


Hongxiao Wang Defended Master Thesis in June 2017. Currently Ph.D student at Notre Dame University

Email: hxwang1992 [AT]

Xilun Xiang School of Software Engineering, University of Science and Technology China (2016.7 - 2017.7)

Na Song School of Software Engineering, University of Science and Technology China (2016.7 - 2017.7)

Shufen Ma, School of Software Engineering, University of Science and Technology China (2015.7 - 2016.8)


Jiewen Wang, Physics, Peking University (2015.7 – 2015.8)


Shikang Du, Physics, Peking University (2015.7 – 2015.8)


Cindy Liu, Computer Science, Rice University (2015.7 – 2015.8)


Xuechuan Li, Basic Science, USTC (2016.7 – 2016.8)

Haochuan Li, Physics, Peking University (2016.7 – 2016.8)

Zhiyuan Yang, Computer Science, UCLA (2016.7 – 2016.9)

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.