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Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis
S Krishnan, RM Miller, B Tian, RD Mullins, MP Jacobson, J Taunton
Journal of the American Chemical Society 136 (36), 12624-12630, 2014
2592014
Cooperative N-heterocyclic carbene and iridium catalysis enables stereoselective and regiodivergent [3+ 2] and [3+ 3] annulation reactions
J Zhang, YS Gao, BM Gu, WL Yang, BX Tian, WP Deng
ACS Catalysis 11 (7), 3810-3821, 2021
582021
Computational-guided discovery and characterization of a sesquiterpene synthase from Streptomyces clavuligerus
JY Chow, BX Tian, G Ramamoorthy, BS Hillerich, RD Seidel, SC Almo, ...
Proceedings of the National Academy of Sciences 112 (18), 5661-5666, 2015
502015
Mechanistic insight into self-propagation of organo-mediated Beckmann rearrangement: A combined experimental and computational study
N An, BX Tian, HJ Pi, LA Eriksson, WP Deng
The Journal of Organic Chemistry 78 (9), 4297-4302, 2013
472013
Can range-separated and hybrid DFT functionals predict low-lying excitations? A Tookad case study
B Tian, ESE Eriksson, LA Eriksson
Journal of Chemical Theory and Computation 6 (7), 2086-2094, 2010
462010
Leveraging structure for enzyme function prediction: methods, opportunities, and challenges
MP Jacobson, C Kalyanaraman, S Zhao, B Tian
Trends in biochemical sciences 39 (8), 363-371, 2014
442014
Catalysts or initiators? Beckmann rearrangement revisited
BX Tian, N An, WP Deng, LA Eriksson
The Journal of Organic Chemistry 78 (13), 6782-6785, 2013
442013
Covalent modification and regulation of the nuclear receptor Nurr1 by a dopamine metabolite
JM Bruning, Y Wang, F Oltrabella, B Tian, SA Kholodar, H Liu, ...
Cell chemical biology 26 (5), 674-685. e6, 2019
432019
Pharmacological targeting of NLRP3 deubiquitination for treatment of NLRP3-associated inflammatory diseases
GM Ren, J Li, XC Zhang, Y Wang, Y Xiao, XY Zhang, X Liu, W Zhang, ...
Science immunology 6 (58), eabe2933, 2021
412021
Catalytic Mechanism and Roles of Arg197 and Thr183 in the Staphylococcus aureus Sortase A Enzyme
BX Tian, LA Eriksson
The Journal of Physical Chemistry B 115 (44), 13003-13011, 2011
392011
Controlled movement of ssDNA conjugated peptide through Mycobacterium smegmatis porin A (MspA) nanopore by a helicase motor for peptide sequencing application
Z Chen, Z Wang, Y Xu, X Zhang, B Tian, J Bai
Chemical science 12 (47), 15750-15756, 2021
382021
Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis
WL Yang, YL Wang, W Li, BM Gu, SW Wang, X Luo, BX Tian, WP Deng
ACS Catalysis 11 (20), 12557-12564, 2021
322021
Predicting the functions and specificity of triterpenoid synthases: a mechanism-based multi-intermediate docking approach
BX Tian, FH Wallrapp, GL Holiday, JY Chow, PC Babbitt, CD Poulter, ...
PLoS computational biology 10 (10), e1003874, 2014
292014
Defining the product chemical space of monoterpenoid synthases
B Tian, CD Poulter, MP Jacobson
PLoS computational biology 12 (8), e1005053, 2016
272016
Susceptibilities of human ACE2 genetic variants in coronavirus infection
W Ren, Y Zhu, J Lan, H Chen, Y Wang, H Shi, F Feng, DY Chen, B Close, ...
Journal of Virology 96 (1), e01492-21, 2022
252022
Catalytic mechanism and product specificity of oxidosqualene-lanosterol cyclase: a QM/MM study
BX Tian, LA Eriksson
The Journal of Physical Chemistry B 116 (47), 13857-13862, 2012
232012
Catalytic roles of active-site residues in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: an ONIOM/DFT study
B Tian, Å Strid, LA Eriksson
The Journal of Physical Chemistry B 115 (8), 1918-1926, 2011
232011
Development of 5N-bicalutamide, a high-affinity reversible covalent antiandrogen
F de Jesus Cortez, P Nguyen, C Truillet, B Tian, KM Kuchenbecker, ...
ACS Chemical Biology 12 (12), 2934-2939, 2017
122017
Structural changes of Listeria monocytogenes sortase A: A key to understanding the catalytic mechanism
B Tian, LA Eriksson
Proteins: Structure, Function, and Bioinformatics 79 (5), 1564-1572, 2011
112011
Predicting Enzyme–Substrate Specificity with QM/MM Methods: A Case Study of the Stereospecificity of d-Glucarate Dehydratase
B Tian, F Wallrapp, C Kalyanaraman, S Zhao, LA Eriksson, MP Jacobson
Biochemistry 52 (33), 5511-5513, 2013
102013
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