Phone: (027)87556652


Academic Areas: Theoretical and Computational Biophysics

Research Interests: Protein and RNA folding mechanism and prediction of three-dimensional structures, interactions and functions of nucleic acids


Dr. Xiao received his M.S. degree in Theoretical Biophysics from Institute of Biophysics of Chinese Academy of Science, Beijing, China, in 1984 and his Ph.D. degree in Theoretical Physics from Shanghai Jiao Tong University, Shanghai, China, in 1988. He is presently a Professor in the School of Physics, Huazhong University of Science and Technology, Wuhan, China. He has conducted a series of research programs including NSFC and his research interests include protein and RNA folding mechanism and prediction of three-dimensional structures, interactions and functions of nucleic acids.

Academic Degrees

PhD in Theoretical Physics, 1988, Shanghai Jiao Tong University.

Professional Experience

1993-Present : Professor, Huazhong University of Science and Technology;

1991-1993: Associate Professor, Huazhong University of Science and Technology;

Selected Publications

  1. Ercheng Wang, Jun Wang, Changjun Chen, Y. Xiao*. Computational evidence that fast translation speed can increase the probability of cotranslational protein folding. Scientific Reports. 5:15316 (2015).

  2. Jun Wang, Yunjie Zhao, Jian Wang, Yi Xiao*. Computational study of stability of an H-H-type pseudoknot motif. Physical Review E92: 062705 (2015).

  3. Jian Wang, Yunjie Zhao, Chunyan Zhu and Yi Xiao*. 3dRNAscore: a distance and torsion angle dependent evaluation function of 3D RNA structures. Nucleic Acids Researche. 43:e63 (2015).

  4. Gong, Z., Y. Zhao, C. Chen, Y. Duan, Y. Xiao*. Insights into Ligand Binding to PreQ1 Riboswitch Aptamer from Molecular Dynamics Simulations. PLoS One. 9(3), e92247, 2014.

  5. Chen C., Y. Huang, X. Jiang and Y. Xiao*, A fast tomographic method for searching the minimum free energy path, J. Chem. Phys. 141, 154109 (2014); 

  6. Zhou, R., Maisuradze, G. G., Sunol, D., Todorovski, T., Macias, M. J., Xiao, Y., Scheraga, H. A., Czaplewski, C. & Liwo, A. (2014). Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements. Proc Natl Acad Sci U S A 111, 18243-8.

  7. Huang, Y., S. Liu, D. Guo, L. Li and Y. Xiao* (2013). A novel protocol for three-dimensional structure prediction of RNA-protein complexes. Sci Rep 3: 1887.

  8. Guo, D., S. Liu, Y. Huang and Y. Xiao* (2013). Preorientation of protein and RNA just before contacting. J Biomol Struct Dyn 31(7): 716-728.

  9. Chen, C., E. Wang, P. Liu and Y. Xiao* (2013). Simulation study of the role of the ribosomal exit tunnel on protein folding. Phys Rev E 87(2): 022701.

  10. Chen, C., Y. Huang and Y. Xiao* (2013). Enhanced sampling of molecular dynamics simulation of peptides and proteins by double coupling to thermal bath. J Biomol Struct Dyn 31(2): 206-214.

  11. Chen, C., Y. Huang, X. Jiang and Y. Xiao* (2013). Binding free-energy calculation of an ion-peptide complex by constrained dynamics. Phys Rev E 87(6): 062705.

  12. Chen, C., Y. Huang, X. Ji and Y. Xiao* (2013). Efficiently finding the minimum free energy path from steepest descent path. J Chem Phys 138(16): 164122.

  13. Li, L., Y. Huang, Y. Xiao* (2013). How to use not-always-reliable binding site information in protein-protein docking prediction. Plos One 8, e75936.

  14. Zhao Y., J. Wang, X. Chen, H. Luo, Y. Zhao, Y. Xiao* and R. Chen* (2013). Large-scale study of long non-coding RNA functions based on structure and expression features. Sci China Life Sci 56(10): 953-959.

  15. Zhao, Y., Y. Huang, Z. Gong, Y. Wang, J. Man and Y. Xiao* (2012). Automated and fast building of three-dimensional RNA structures. Sci Rep 2: 734.

  16. Wu, D., H. Li, W. Du, X. Ji, W. Liu, S. Huang and Y. Xiao* (2012). Mathematical modeling of therapeutic strategies for myeloid malignancies. Pathol Oncol Res 18(4): 939-947.

  17. Maisuradze, G. G., R. Zhou, A. Liwo, Y. Xiao and H. A. Scheraga (2012). Effects of mutation, truncation, and temperature on the folding kinetics of a WW domain. J Mol Biol 420(4-5): 350-365.

  18. Jiang, X., A. Zhong, C. Chen, Y. Huang and Y. Xiao* (2012). Network approach to identify the folding transition states of peptides and proteins. Phys Rev E 86(5 Pt 1): 051901.

  19. Gong, Z., Y. Zhao, C. Chen and Y. Xiao* (2012). Computational study of unfolding and regulation mechanism of preQ1 riboswitches. Plos One 7(9): e45239.

  20. Chen, C., Y. Huang and Y. Xiao* (2012). Free-energy calculations along a high-dimensional fragmented path with constrained dynamics. Phys Rev E 86(3 Pt 1): 031901.

  21. Zhou R, He Y, Xiao Y* (2011) Multi-nucleation and vectorial folding pathways of large helix protein. Comput Biol Chem 35: 169-173.

  22. Gong Z, Zhao Y, Chen C, Xiao Y* (2011) Role of Ligand Binding in Structural Organization of Add A-riboswitch Aptamer: A Molecular Dynamics Simulation. J Biomol Struct Dyn 29: 403-416.

  23. Li L, Guo D, Huang Y, Liu S, Xiao Y* (2011) ASPDock: protein-protein docking algorithm using atomic solvation parameters model. BMC Bioinformatics 12:36.

  24. Zhao Y, Gong Z, Xiao Y* (2011) Improvements of the hierarchical approach for predicting RNA tertiary structure. J Biomol Struct Dyn 28: 815-826.

  25. Lei HX, Chen CJ, Xiao Y and Duan Y (2011) The protein folding network indicates that the ultrafast folding mutant of villin headpiece subdomain has a deeper folding funnel. J Chem Phys 134: 205104-1-7.

  26. Fleishman SJ et al (2011) Community-Wide Assessment of Protein-Interface Modeling Suggests Improvements to Design Methodology. J Mol Bio 414:289-302.

  27. Feng J, M Li, YZ Huang and Y Xiao* (2010) Symmetric key structural residues in symmetric proteins with beta-trefoil fold." PLoS One 5: e14138.

  28. Wang G, C. Du, Chen, H., Simha, R., Rong, Y., Xiao and C. Zeng (2010) Process-based network decomposition reveals backbone motif structure. Proc Natl Acad Sci U S A 107(23): 10478-83.

  29. Gong Z, Zhao Y, Xiao Y* (2010) RNA stability under different combinations of amber force fields and solvation models. J Biomol Struct Dyn 28: 431-441.

  30. Chen CJ and Y Xiao*. (2010). Accurate free energy calculation along optimized paths. J Comput Chem. 31:1368-1375.

  31. Jiang XW, Changjun Chen, Y Xiao*. (2010) Improvements of network approach for analysis of the folding free-energy surface of peptides and proteins. J Comput Chem. 31: 2502-2509.

Awards and Honors

• National Natural Science Foundation of China , Grant No.11374113;

• National Natural Science Foundation of China , Grant No.31570722;

Courses Taught

• Theoretical Mechanics;

• Biophysics.

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