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    Boxue Tian

    TitlePostdoctoral Scholar
    SchoolUCSF School of Pharmacy
    DepartmentPharmaceutical Chemistry
    Address1700 4th Street
    San Francisco CA 94158
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      Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help.
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      1. Tian B, Poulter CD, Jacobson MP. Defining the Product Chemical Space of Monoterpenoid Synthases. PLoS Comput Biol. 2016 Aug; 12(8):e1005053. PMID: 27517297.
        View in: PubMed
      2. Tian BX, Wallrapp FH, Holiday GL, Chow JY, Babbitt PC, Poulter CD, Jacobson MP. Predicting the functions and specificity of triterpenoid synthases: a mechanism-based multi-intermediate docking approach. PLoS Comput Biol. 2014 Oct; 10(10):e1003874. PMID: 25299649; PMCID: PMC4191879.
      3. Krishnan S, Miller RM, Tian B, Mullins RD, Jacobson MP, Taunton J. Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis. J Am Chem Soc. 2014 Sep 10; 136(36):12624-30. PMID: 25153195; PMCID: PMC4160273.
      4. Jacobson MP, Kalyanaraman C, Zhao S, Tian B. Leveraging structure for enzyme function prediction: methods, opportunities, and challenges. Trends Biochem Sci. 2014 Aug; 39(8):363-71. PMID: 24998033; PMCID: PMC4117707.
      5. Tian B, Wallrapp F, Kalyanaraman C, Zhao S, Eriksson LA, Jacobson MP. Predicting enzyme-substrate specificity with QM/MM methods: a case study of the stereospecificity of (D)-glucarate dehydratase. Biochemistry. 2013 Aug 20; 52(33):5511-3. PMID: 23901785; PMCID: PMC3964877.
      6. Tian BX, An N, Deng WP, Eriksson LA. Catalysts or initiators? Beckmann rearrangement revisited. J Org Chem. 2013 Jul 5; 78(13):6782-5. PMID: 23738927.
        View in: PubMed
      7. An N, Tian BX, Pi HJ, Eriksson LA, Deng WP. Mechanistic insight into self-propagation of organo-mediated Beckmann rearrangement: a combined experimental and computational study. J Org Chem. 2013 May 3; 78(9):4297-302. PMID: 23534968.
        View in: PubMed
      8. Tian BX, Eriksson LA. Catalytic mechanism and product specificity of oxidosqualene-lanosterol cyclase: a QM/MM study. J Phys Chem B. 2012 Nov 29; 116(47):13857-62. PMID: 23130825.
        View in: PubMed
      9. Tian BX, Erdtman E, Eriksson LA. Catalytic mechanism of porphobilinogen synthase: the chemical step revisited by QM/MM calculations. J Phys Chem B. 2012 Oct 11; 116(40):12105-12. PMID: 22974111.
        View in: PubMed
      10. Tian BX, Eriksson LA. Catalytic mechanism and roles of Arg197 and Thr183 in the Staphylococcus aureus sortase A enzyme. J Phys Chem B. 2011 Nov 10; 115(44):13003-11. PMID: 21950672.
        View in: PubMed
      11. Tian B, Eriksson LA. Structural changes of Listeria monocytogenes Sortase A: a key to understanding the catalytic mechanism. Proteins. 2011 May; 79(5):1564-72. PMID: 21374720.
        View in: PubMed
      12. Tian B, Strid Å, Eriksson LA. Catalytic roles of active-site residues in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: an ONIOM/DFT study. J Phys Chem B. 2011 Mar 3; 115(8):1918-26. PMID: 21291225.
        View in: PubMed
      13. Tian B, Eriksson ES, Eriksson LA. Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study. J Chem Theory Comput. 2010 Jul 13; 6(7):2086-94. PMID: 26615936.
        View in: PubMed
      14. Tian B, Tu Y, Strid A, Eriksson LA. Hydroxylation and ring-opening mechanism of an unusual flavoprotein monooxygenase, 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: a theoretical study. Chemistry. 2010 Feb 22; 16(8):2557-66. PMID: 20066695.
        View in: PubMed
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