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Boxue Tian, PhD

Title(s)Associate Specialist, Pharmaceutical Chemistry
SchoolSchool of Pharmacy
ORCID ORCID Icon0000-0002-5830-0669 Additional info
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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. Bruning JM, Wang Y, Oltrabella F, Tian B, Kholodar SA, Liu H, Bhattacharya P, Guo S, Holton JM, Fletterick RJ, Jacobson MP, England PM. Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite. Cell Chem Biol. 2019 May 16; 26(5):674-685.e6. PMID: 30853418.
      View in: PubMed
    2. de Jesus Cortez F, Nguyen P, Truillet C, Tian B, Kuchenbecker KM, Evans MJ, Webb P, Jacobson MP, Fletterick RJ, England PM. Development of 5N-Bicalutamide, a High-Affinity Reversible Covalent Antiandrogen. ACS Chem Biol. 2017 12 15; 12(12):2934-2939. PMID: 28981251.
      View in: PubMed
    3. Qiao Zhao, Kai Zhao, Sheng-ying Wu, Bo-xue Tian, Leif A. Eriksson, Li-min Wang, Na An, Zhong-zhu Long, Shui-hong Cai. On the formation of a side product with hexahydroaporphine-like structure in the Grewe cyclization of dextromethorphan. 2017 Mar 1; 43(3):1689-1708.
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    4. Tian B, Poulter CD, Jacobson MP. Defining the Product Chemical Space of Monoterpenoid Synthases. PLoS Comput Biol. 2016 08; 12(8):e1005053. PMID: 27517297.
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    5. Zheng Wang, Xingxin Yu, Bo-Xue Tian, Daniel T. Payne, Wu-Lin Yang, Yang-Zi Liu, John S. Fossey, Wei-Ping Deng. ChemInform Abstract: Chiral N,O-Ligand/[Cu(OAc)2]-Catalyzed Asymmetric Construction of 4-Aminopyrrolidine Derivatives by 1,3-Dipolar Cycloaddition of Azomethine Ylides with a-Phthalimidoacrylates. 2015 Dec 1; 46(48):no-no.
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    6. Shyam Krishnan, Rand M. Miller, Boxue Tian, R. Dyche Mullins, Matthew P. Jacobson, Jack Taunton. Correction to “Design of Reversible, Cysteine-Targeted Michael Acceptors Guided by Kinetic and Computational Analysis”. 2014 Dec 17; 136(50):17690-17690.
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    7. 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.
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    8. 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.
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    9. 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.
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    10. 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.
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    11. Tian BX, An N, Deng WP, Eriksson LA. Catalysts or initiators? Beckmann rearrangement revisited. J Org Chem. 2013 Jul 05; 78(13):6782-5. PMID: 23738927.
      View in: PubMed
    12. 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 03; 78(9):4297-302. PMID: 23534968.
      View in: PubMed
    13. 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.
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    14. 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.
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    15. 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
    16. 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
    17. 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 03; 115(8):1918-26. PMID: 21291225.
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    18. 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.
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    19. 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.
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