Boxue 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.