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Items: 43


Accurate and Efficient Determination of Unknown Metabolites in Metabolomics by NMR-Based Molecular Motif Identification.

Wang C, Zhang B, Timári I, Somogyi Á, Li DW, Adcox HE, Gunn JS, Bruschweiler-Li L, Brüschweiler R.

Anal Chem. 2019 Dec 17;91(24):15686-15693. doi: 10.1021/acs.analchem.9b03849. Epub 2019 Dec 3.


Extreme Nonuniform Sampling for Protein NMR Dynamics Studies in Minimal Time.

Jameson G, Hansen AL, Li D, Bruschweiler-Li L, Brüschweiler R.

J Am Chem Soc. 2019 Oct 23;141(42):16829-16838. doi: 10.1021/jacs.9b08032. Epub 2019 Oct 14.


Functional protein dynamics on uncharted time scales detected by nanoparticle-assisted NMR spin relaxation.

Xie M, Yu L, Bruschweiler-Li L, Xiang X, Hansen AL, Brüschweiler R.

Sci Adv. 2019 Aug 14;5(8):eaax5560. doi: 10.1126/sciadv.aax5560. eCollection 2019 Aug.


Metabolic Regulation of Glycolysis and AMP Activated Protein Kinase Pathways during Black Raspberry-Mediated Oral Cancer Chemoprevention.

Knobloch TJ, Ryan NM, Bruschweiler-Li L, Wang C, Bernier MC, Somogyi A, Yan PS, Cooperstone JL, Mo X, Brüschweiler RP, Weghorst CM, Oghumu S.

Metabolites. 2019 Jul 11;9(7). pii: E140. doi: 10.3390/metabo9070140.


Identification of Unknown Metabolomics Mixture Compounds by Combining NMR, MS, and Cheminformatics.

Leggett A, Wang C, Li DW, Somogyi A, Bruschweiler-Li L, Brüschweiler R.

Methods Enzymol. 2019;615:407-422. doi: 10.1016/bs.mie.2018.09.003. Epub 2018 Dec 7.


Real-Time Pure Shift HSQC NMR for Untargeted Metabolomics.

Timári I, Wang C, Hansen AL, Costa Dos Santos G, Yoon SO, Bruschweiler-Li L, Brüschweiler R.

Anal Chem. 2019 Feb 5;91(3):2304-2311. doi: 10.1021/acs.analchem.8b04928. Epub 2019 Jan 16.


Time-Resolved Protein Side-Chain Motions Unraveled by High-Resolution Relaxometry and Molecular Dynamics Simulations.

Cousin SF, Kadeřávek P, Bolik-Coulon N, Gu Y, Charlier C, Carlier L, Bruschweiler-Li L, Marquardsen T, Tyburn JM, Brüschweiler R, Ferrage F.

J Am Chem Soc. 2018 Oct 17;140(41):13456-13465. doi: 10.1021/jacs.8b09107. Epub 2018 Sep 24.


The Intracellular Loop of the Na+/Ca2+ Exchanger Contains an "Awareness Ribbon"-Shaped Two-Helix Bundle Domain.

Yuan J, Yuan C, Xie M, Yu L, Bruschweiler-Li L, Brüschweiler R.

Biochemistry. 2018 Aug 28;57(34):5096-5104. doi: 10.1021/acs.biochem.8b00300. Epub 2018 Jul 3.


Non-Uniform and Absolute Minimal Sampling for High-Throughput Multidimensional NMR Applications.

Li D, Hansen AL, Bruschweiler-Li L, Brüschweiler R.

Chemistry. 2018 Aug 9;24(45):11535-11544. doi: 10.1002/chem.201800954. Epub 2018 Jun 19. Review.


Nanoparticle-Assisted Metabolomics.

Zhang B, Xie M, Bruschweiler-Li L, Brüschweiler R.

Metabolites. 2018 Mar 13;8(1). pii: E21. doi: 10.3390/metabo8010021. Review.


miRNA-122 Protects Mice and Human Hepatocytes from Acetaminophen Toxicity by Regulating Cytochrome P450 Family 1 Subfamily A Member 2 and Family 2 Subfamily E Member 1 Expression.

Chowdhary V, Teng KY, Thakral S, Zhang B, Lin CH, Wani N, Bruschweiler-Li L, Zhang X, James L, Yang D, Junge N, Brüschweiler R, Lee WM, Ghoshal K.

Am J Pathol. 2017 Dec;187(12):2758-2774. doi: 10.1016/j.ajpath.2017.08.026. Epub 2017 Sep 28.


Accurate Identification of Unknown and Known Metabolic Mixture Components by Combining 3D NMR with Fourier Transform Ion Cyclotron Resonance Tandem Mass Spectrometry.

Wang C, He L, Li DW, Bruschweiler-Li L, Marshall AG, Brüschweiler R.

J Proteome Res. 2017 Oct 6;16(10):3774-3786. doi: 10.1021/acs.jproteome.7b00457. Epub 2017 Sep 1.


The Michaelis Complex of Arginine Kinase Samples the Transition State at a Frequency That Matches the Catalytic Rate.

Peng Y, Hansen AL, Bruschweiler-Li L, Davulcu O, Skalicky JJ, Chapman MS, Brüschweiler R.

J Am Chem Soc. 2017 Apr 5;139(13):4846-4853. doi: 10.1021/jacs.7b00236. Epub 2017 Mar 27.


Emerging new strategies for successful metabolite identification in metabolomics.

Bingol K, Bruschweiler-Li L, Li D, Zhang B, Xie M, Brüschweiler R.

Bioanalysis. 2016 Mar;8(6):557-73. doi: 10.4155/bio-2015-0004. Epub 2016 Feb 26. Review.


Model for the allosteric regulation of the Na+/Ca2+ exchanger NCX.

Abiko LA, Vitale PM, Favaro DC, Hauk P, Li DW, Yuan J, Bruschweiler-Li L, Salinas RK, Brüschweiler R.

Proteins. 2016 May;84(5):580-90. doi: 10.1002/prot.25003. Epub 2016 Mar 11.


Nanoparticle-Assisted Removal of Protein in Human Serum for Metabolomics Studies.

Zhang B, Xie M, Bruschweiler-Li L, Brüschweiler R.

Anal Chem. 2016 Jan 5;88(1):1003-7. doi: 10.1021/acs.analchem.5b03889. Epub 2015 Dec 8.


Modulation and Functional Role of the Orientations of the N- and P-Domains of Cu+ -Transporting ATPase along the Ion Transport Cycle.

Meng D, Bruschweiler-Li L, Zhang F, Brüschweiler R.

Biochemistry. 2015 Aug 18;54(32):5095-102. doi: 10.1021/acs.biochem.5b00420. Epub 2015 Aug 5.


Use of Charged Nanoparticles in NMR-Based Metabolomics for Spectral Simplification and Improved Metabolite Identification.

Zhang B, Xie M, Bruschweiler-Li L, Bingol K, Brüschweiler R.

Anal Chem. 2015 Jul 21;87(14):7211-7. doi: 10.1021/acs.analchem.5b01142. Epub 2015 Jul 1.


Kinetic Cooperativity in Human Pancreatic Glucokinase Originates from Millisecond Dynamics of the Small Domain.

Larion M, Hansen AL, Zhang F, Bruschweiler-Li L, Tugarinov V, Miller BG, Brüschweiler R.

Angew Chem Int Ed Engl. 2015 Jul 6;54(28):8129-32. doi: 10.1002/anie.201501204. Epub 2015 May 26.


Metabolomics beyond spectroscopic databases: a combined MS/NMR strategy for the rapid identification of new metabolites in complex mixtures.

Bingol K, Bruschweiler-Li L, Yu C, Somogyi A, Zhang F, Brüschweiler R.

Anal Chem. 2015 Apr 7;87(7):3864-70. doi: 10.1021/ac504633z. Epub 2015 Mar 12.


Unified and isomer-specific NMR metabolomics database for the accurate analysis of (13)C-(1)H HSQC spectra.

Bingol K, Li DW, Bruschweiler-Li L, Cabrera OA, Megraw T, Zhang F, Brüschweiler R.

ACS Chem Biol. 2015 Feb 20;10(2):452-9. doi: 10.1021/cb5006382. Epub 2014 Nov 5.


Customized metabolomics database for the analysis of NMR ¹H-¹H TOCSY and ¹³C-¹H HSQC-TOCSY spectra of complex mixtures.

Bingol K, Bruschweiler-Li L, Li DW, Brüschweiler R.

Anal Chem. 2014 Jun 3;86(11):5494-501. doi: 10.1021/ac500979g. Epub 2014 May 20.


NMR backbone resonance assignments of the N, P domains of CopA, a copper-transporting ATPase, in the apo and ligand bound states.

Meng D, Bruschweiler-Li L, Zhang F, Brüschweiler R.

Biomol NMR Assign. 2015 Apr;9(1):129-33. doi: 10.1007/s12104-014-9558-y. Epub 2014 Apr 5.


Backbone resonance assignments of the 42 kDa enzyme arginine kinase in the transition state analogue form.

Davulcu O, Niu X, Brüschweiler-Li L, Brüschweiler R, Skalicky JJ, Chapman MS.

Biomol NMR Assign. 2014 Oct;8(2):335-8. doi: 10.1007/s12104-013-9512-4. Epub 2013 Jul 29.


Quantitative analysis of metabolic mixtures by two-dimensional 13C constant-time TOCSY NMR spectroscopy.

Bingol K, Zhang F, Bruschweiler-Li L, Brüschweiler R.

Anal Chem. 2013 Jul 2;85(13):6414-20. doi: 10.1021/ac400913m. Epub 2013 Jun 17.


Order-disorder transitions govern kinetic cooperativity and allostery of monomeric human glucokinase.

Larion M, Salinas RK, Bruschweiler-Li L, Miller BG, Brüschweiler R.

PLoS Biol. 2012;10(12):e1001452. doi: 10.1371/journal.pbio.1001452. Epub 2012 Dec 18.


High-resolution homonuclear 2D NMR of carbon-13 enriched metabolites and their mixtures.

Zhang F, Bruschweiler-Li L, Brüschweiler R.

J Magn Reson. 2012 Dec;225:10-3. doi: 10.1016/j.jmr.2012.09.006. Epub 2012 Sep 24.


TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database.

Bingol K, Zhang F, Bruschweiler-Li L, Brüschweiler R.

Anal Chem. 2012 Nov 6;84(21):9395-401. doi: 10.1021/ac302197e. Epub 2012 Oct 11.


Competitive binding between dynamic p53 transactivation subdomains to human MDM2 protein: implications for regulating the p53·MDM2/MDMX interaction.

Shan B, Li DW, Brüschweiler-Li L, Brüschweiler R.

J Biol Chem. 2012 Aug 31;287(36):30376-84. doi: 10.1074/jbc.M112.369793. Epub 2012 Jul 17.


Carbon backbone topology of the metabolome of a cell.

Bingol K, Zhang F, Bruschweiler-Li L, Brüschweiler R.

J Am Chem Soc. 2012 May 30;134(21):9006-11. doi: 10.1021/ja3033058. Epub 2012 May 17.


Ca2+ binding alters the interdomain flexibility between the two cytoplasmic calcium-binding domains in the Na+/Ca2+ exchanger.

Salinas RK, Bruschweiler-Li L, Johnson E, Brüschweiler R.

J Biol Chem. 2011 Sep 16;286(37):32123-31. doi: 10.1074/jbc.M111.249268. Epub 2011 Jul 21.


Arginine kinase: joint crystallographic and NMR RDC analyses link substrate-associated motions to intrinsic flexibility.

Niu X, Bruschweiler-Li L, Davulcu O, Skalicky JJ, Brüschweiler R, Chapman MS.

J Mol Biol. 2011 Jan 14;405(2):479-96. doi: 10.1016/j.jmb.2010.11.007. Epub 2010 Nov 12.


Simultaneous de novo identification of molecules in chemical mixtures by doubly indirect covariance NMR spectroscopy.

Zhang F, Bruschweiler-Li L, Brüschweiler R.

J Am Chem Soc. 2010 Dec 1;132(47):16922-7. doi: 10.1021/ja106781r. Epub 2010 Nov 9.


Direct evidence of conformational heterogeneity in human pancreatic glucokinase from high-resolution nuclear magnetic resonance.

Larion M, Salinas RK, Bruschweiler-Li L, Brüschweiler R, Miller BG.

Biochemistry. 2010 Sep 21;49(37):7969-71. doi: 10.1021/bi101098f.


Temporally- and spatially-regulated transcriptional activity of the nicotinic acetylcholine receptor beta4 subunit gene promoter.

Bruschweiler-Li L, Fuentes Medel YF, Scofield MD, Trang EB, Binke SA, Gardner PD.

Neuroscience. 2010 Mar 31;166(3):864-77. doi: 10.1016/j.neuroscience.2010.01.026. Epub 2010 Jan 20.


Web server suite for complex mixture analysis by covariance NMR.

Zhang F, Robinette SL, Bruschweiler-Li L, Brüschweiler R.

Magn Reson Chem. 2009 Dec;47 Suppl 1:S118-22. doi: 10.1002/mrc.2486.


Self-consistent metabolic mixture analysis by heteronuclear NMR. Application to a human cancer cell line.

Zhang F, Bruschweiler-Li L, Robinette SL, Brüschweiler R.

Anal Chem. 2008 Oct 1;80(19):7549-53. doi: 10.1021/ac801116u. Epub 2008 Sep 4.


Quantitative lid dynamics of MDM2 reveals differential ligand binding modes of the p53-binding cleft.

Showalter SA, Bruschweiler-Li L, Johnson E, Zhang F, Brüschweiler R.

J Am Chem Soc. 2008 May 21;130(20):6472-8. doi: 10.1021/ja800201j. Epub 2008 Apr 25.


Web server based complex mixture analysis by NMR.

Robinette SL, Zhang F, Brüschweiler-Li L, Brüschweiler R.

Anal Chem. 2008 May 15;80(10):3606-11. doi: 10.1021/ac702530t. Epub 2008 Apr 19.


Transcription factor assembly on the nicotinic receptor beta4 subunit gene promoter.

Scofield MD, Brüschweiler-Li L, Mou Z, Gardner PD.

Neuroreport. 2008 Apr 16;19(6):687-90. doi: 10.1097/WNR.0b013e3282fbcef7.


Structure and dynamics of Ca2+-binding domain 1 of the Na+/Ca2+ exchanger in the presence and in the absence of Ca2+.

Johnson E, Bruschweiler-Li L, Showalter SA, Vuister GW, Zhang F, Brüschweiler R.

J Mol Biol. 2008 Mar 28;377(3):945-55. doi: 10.1016/j.jmb.2008.01.046. Epub 2008 Jan 30.


Non-negative matrix factorization of two-dimensional NMR spectra: application to complex mixture analysis.

Snyder DA, Zhang F, Robinette SL, Bruschweiler-Li L, Brüschweiler R.

J Chem Phys. 2008 Feb 7;128(5):052313. doi: 10.1063/1.2816782.


Quantitative covariance NMR by regularization.

Chen Y, Zhang F, Snyder D, Gan Z, Bruschweiler-Li L, Brüschweiler R.

J Biomol NMR. 2007 May;38(1):73-7. Epub 2007 Mar 10.


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