image002.JPGBoxue Tian

 

E-mail: boxue.tian@gmail.com

Address: Department of Pharmaceutical Chemistry

        1700 4th Street, Byers Hall

        San Francisco, CA 94158-2330

 

Education:

2004-2008: East China University of Science and Technology (Shanghai, China)

Bachelor of Applied Chemistry (Advisor: Prof. He Tian)

2008-2009: Örebro University (Örebro, Sweden)

Master of Theoretical Chemistry and Computational Modeling

2009-2012: National University of Ireland, Galway (Galway, Ireland)

Ph.D. of Bio-physical Chemistry (Advisor: Prof. Leif A. Eriksson)

2013-now: University of California at San Francisco (San Francisco, USA)

Postdoctoral researcher, Member of Enzyme Function Initiative (Advisor: Prof. Matthew P. Jacobson)

 

Research:

Computational Study on Enzymes: Enzyme Function Prediction, Enzyme Mechanisms and specificity

 

Publications:

10. B. Tian, F. H. Wallrapp, C. Kalyanaraman, S. Zhao, L. A. Eriksson, M. P. Jacobson. Predicting Enzyme-Substrate Specificity with QM/MM Methods: A Case Study of the Stereo-specificity of D-glucarate Dehydratase. Biochemistry 2013, 52, 5511–5513. PubMed

9. B. Tian, N. An, W. P. Deng, L. A. Eriksson. Catalysts or Initiators?-Beckmann Rearrangement Revisited. J. Org. Chem. 2013, 78, 6782–6785. PubMed

8. N. An, B. Tian, L. A. Eriksson, W. P. Deng, Mechanistic Insight into Self-Propagation of Organo-Mediated Beckmann Rearrangement: A Combined Experimental and Computational Study. J. Org. Chem. 2013, 78, 4297-4302. PubMed

7. B. Tian, L. A. Eriksson. Catalytic Mechanism and Product Specificity of Oxidosqualene-Lanosterol Cyclase: A QM/MM Study. J. Phys. Chem. B 2012, 116, 13857-13862. PubMed

6. B. Tian, E. Erdtman, L.A. Eriksson. Catalytic Mechanism of Porphobilinogen Synthase: The Chemical Step Revisited by QM/MM Calculations. J. Phys. Chem. B 2012, 116, 12105-12112. PubMed

5. B. Tian, L.A. Eriksson. Catalytic Mechanism and Roles of Arg197 and Thr183 in the Staphylococcus aureus Sortase A Enzyme. J. Phys. Chem. B 2011, 115, 13003-13011. PubMed

4. B. Tian, L. A. Eriksson. Structural changes of Listeria Monocytogenes Sortase A: A key to understanding the catalytic mechanism. Proteins: Struct., Funct., Bioinf. 2011, 79, 1564-1572. PubMed

3. B. Tian, L. A. Eriksson. Catalytic Roles of Active Site Residues in 2-Methyl-3-hydroxypyridine-5-carboxylic Acid Oxygenase: An ONIOM/DFT Study. J. Phys. Chem. B 2011, 115, 1918-1926. PubMed

2. B. Tian, E. Eriksson, L. A. Eriksson. Can range-separated hybrid DFT functionals predict low-lying excitations? A Tookad case study. J. Chem. Theory Comput. 2010, 6, 2086–2094. ACS

1. B. Tian, Y. Tu, Ǻ. Strid, L. A. Eriksson. Hydroxylation and Ring-opening Mechanism of an Unusual Flavoprotein Monooxygenase, 2-Methyl-3-hydroxypyridine-5-carboxylic Acid Oxygenase: A Theoretical Study. Chem. Eur. J. 2010, 16, 2557-2566. PubMed

 

Personal Details:

Gender: Male; Year of Birth: 1985

Married, daughter was born in 2009.

Interests and hobbies: Soccer, Basketball, Guitar.