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Qin Xu
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Qin Xu

Post-doctoral Research Associate (2010 - 2012)


oak ridge , knoxville
Email:
Work: (865) 241-0896

Education:

  1. M. S. Statistics University of Tennessee, Knoxville
  2. Ph. D. Biology University of Tennessee, Knoxville
  3. B. S. Biology Peking University, Beijing, China

Biography:

Publications


1. Xu, Q.; Yao, J.; Wlodawer, A.; Guo, H., Clarification of the Mechanism of Acylation Reaction and Origin of Substrate Specificity of the Serine-Carboxyl Peptidase Sedolisin through QM/MM Free Energy Simulations. The Journal of Physical Chemistry B 2011, 463.

2. Yao, J.; Xu, Q.; Chen, F.; Guo, H., QM/MM Free Energy Simulations of Salicylic Acid Methyltransferase: Effects of Stabilization of TS-like Structures on Substrate Specificity. The Journal of Physical Chemistry B 2010, 9.

3. Xu, Q.; Ye, X.; Li, L. Y.; Cheng, Z. M.; Guo, H., Structural basis for the action of xyloglucan endotransglycosylases/hydrolases: Insights from homology modeling. Interdisciplinary Sciences: Computational Life Sciences 2010, 2 (2), 133-139.

4. Xu, Q.; Li, L. Y.; Guo, H., Understanding the Mechanism of Deacylation Reaction Catalyzed by the Serine Carboxyl Peptidase Kumamolisin-As: Insights from QM/MM Free Energy Simulations. Journal of Physical Chemistry B 2010, 114 (32), 10594-10600.

5. Chu, Y.; Xu, Q.; Guo, H., Understanding Energetic Origins of Product Specificity of SET8 from QM/MM Free Energy Simulations: What Causes the Stop of Methyl Addition during Histone Lysine Methylation? Journal of Chemical Theory and Computation 2010, 6 (4), 1380-1389.

6. Xu, Q.; Chu, Y.; Guo, H. B.; Smith, J. C.; Guo, H., Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free Energy Simulations of Protein Lysine Methyltransferases. Chemistry‚ÄďA European Journal 2009, 15 (46), 12596-12599.

7. Xu, Q.; Guo, H. B.; Wlodawer, A.; Nakayama, T.; Guo, H., The QM/MM molecular dynamics and free energy simulations of the acylation reaction catalyzed by the serine-carboxyl peptidase kumamolisin-As. Biochemistry 2007, 46 (12), 3784-3792.

8. Xu, Q.; Guo, H. B.; Gorin, A.; Guo, H., Stabilization of a transition-state analogue at the active site of yeast cytosine deaminase: Importance of proton transfers. Journal of Physical Chemistry B 2007, 111 (23), 6501-6506.

9. Xu, Q.; Guo, H.; Wlodawer, A., The importance of dynamics in substrate-assisted catalysis and specificity. Journal of the American Chemical Society 2006, 128 (18), 5994-5995.

10. Guo, H. B.; Wlodawer, A.; Nakayama, T.; Xu, Q.; Guo, H., Catalytic role of proton transfers in the formation of a tetrahedral adduct in a serine carboxyl peptidase. Biochemistry 2006, 45 (30), 9129-9137.

11. Guo, H. B.; Rao, N.; Xu, Q.; Guo, H., Origin of tight binding of a near-perfect transition-state analogue by cytidine deaminase: Implications for enzyme catalysis. Journal of the American Chemical Society 2005, 127 (9), 3191-3197.

12. Xu, Q.; Guo, H., Quantum mechanical/molecular mechanical molecular dynamics simulations of cytidine deaminase: From stabilization of transition state analogues to catalytic mechanisms. Journal of Physical Chemistry B 2004, 108 (7), 2477-2483.