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Best matches for Brüschweiler R[au]:

The future of NMR-based metabolomics. Markley JL et al. Curr Opin Biotechnol. (2017)

Nanoparticle-Assisted Metabolomics. Zhang B et al. Metabolites. (2018)

Reprograming of Glucose Metabolism by Zerumbone Suppresses Hepatocarcinogenesis. Wani NA et al. Mol Cancer Res. (2018)

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Items: 1 to 50 of 157


Balanced Amino-Acid-Specific Molecular Dynamics Force Field for the Realistic Simulation of Both Folded and Disordered Proteins.

Yu L, Li DW, Brüschweiler R.

J Chem Theory Comput. 2020 Jan 9. doi: 10.1021/acs.jctc.9b01062. [Epub ahead of print]


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.


Carbohydrate Background Removal in Metabolomics Samples.

Yuan J, Zhang B, Wang C, Brüschweiler R.

Anal Chem. 2018 Dec 18;90(24):14100-14104. doi: 10.1021/acs.analchem.8b04482. Epub 2018 Dec 3.


Quantitative Binding Behavior of Intrinsically Disordered Proteins to Nanoparticle Surfaces at Individual Residue Level.

Xie M, Li DW, Yuan J, Hansen AL, Brüschweiler R.

Chemistry. 2018 Nov 16;24(64):16997-17001. doi: 10.1002/chem.201804556. Epub 2018 Oct 26.


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.


Reprograming of Glucose Metabolism by Zerumbone Suppresses Hepatocarcinogenesis.

Wani NA, Zhang B, Teng KY, Barajas JM, Motiwala T, Hu P, Yu L, Brüschweiler R, Ghoshal K, Jacob ST.

Mol Cancer Res. 2018 Feb;16(2):256-268. doi: 10.1158/1541-7786.MCR-17-0304. Epub 2017 Nov 29.


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.


Maximal clique method for the automated analysis of NMR TOCSY spectra of complex mixtures.

Li DW, Wang C, Brüschweiler R.

J Biomol NMR. 2017 Jul;68(3):195-202. doi: 10.1007/s10858-017-0119-4. Epub 2017 Jun 1.


Absolute Minimal Sampling of Homonuclear 2D NMR TOCSY Spectra for High-Throughput Applications of Complex Mixtures.

Hansen AL, Li D, Wang C, Brüschweiler R.

Angew Chem Int Ed Engl. 2017 Jul 3;56(28):8149-8152. doi: 10.1002/anie.201703587. Epub 2017 Jun 13.


Differential Attenuation of NMR Signals by Complementary Ion-Exchange Resin Beads for De Novo Analysis of Complex Metabolomics Mixtures.

Zhang B, Yuan J, Brüschweiler R.

Chemistry. 2017 Jul 12;23(39):9239-9243. doi: 10.1002/chem.201701572. Epub 2017 Jun 20.


Elevated μs-ms timescale backbone dynamics in the transition state analog form of arginine kinase.

Davulcu O, Peng Y, Brüschweiler R, Skalicky JJ, Chapman MS.

J Struct Biol. 2017 Dec;200(3):258-266. doi: 10.1016/j.jsb.2017.05.002. Epub 2017 May 8.


Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of Unknowns.

Hoffmann F, Li DW, Sebastiani D, Brüschweiler R.

J Phys Chem A. 2017 Apr 27;121(16):3071-3078. doi: 10.1021/acs.jpca.7b01954. Epub 2017 Apr 17.


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.


Statistical database analysis of the role of loop dynamics for protein-protein complex formation and allostery.

Gu Y, Li DW, Brüschweiler R.

Bioinformatics. 2017 Jun 15;33(12):1814-1819. doi: 10.1093/bioinformatics/btx070.


Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server.

Bingol K, Li DW, Zhang B, Brüschweiler R.

Anal Chem. 2016 Dec 20;88(24):12411-12418. doi: 10.1021/acs.analchem.6b03724. Epub 2016 Dec 6.


Absolute Minimal Sampling in High-Dimensional NMR Spectroscopy.

Hansen AL, Brüschweiler R.

Angew Chem Int Ed Engl. 2016 Nov 2;55(45):14169-14172. doi: 10.1002/anie.201608048. Epub 2016 Oct 10.


The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase.

Godsey MH, Davulcu O, Nix JC, Skalicky JJ, Brüschweiler RP, Chapman MS.

Structure. 2016 Oct 4;24(10):1658-1667. doi: 10.1016/j.str.2016.07.013. Epub 2016 Sep 1.


The future of NMR-based metabolomics.

Markley JL, Brüschweiler R, Edison AS, Eghbalnia HR, Powers R, Raftery D, Wishart DS.

Curr Opin Biotechnol. 2017 Feb;43:34-40. doi: 10.1016/j.copbio.2016.08.001. Epub 2016 Aug 28. Review.


Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods.

Bingol K, Brüschweiler R.

Curr Opin Biotechnol. 2017 Feb;43:17-24. doi: 10.1016/j.copbio.2016.07.006. Epub 2016 Aug 20. Review.


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.


Rapid Determination of Fast Protein Dynamics from NMR Chemical Exchange Saturation Transfer Data.

Gu Y, Hansen AL, Peng Y, Brüschweiler R.

Angew Chem Int Ed Engl. 2016 Feb 24;55(9):3117-9. doi: 10.1002/anie.201511711. Epub 2016 Jan 28.


Residue-Specific Interactions of an Intrinsically Disordered Protein with Silica Nanoparticles and their Quantitative Prediction.

Xie M, Hansen AL, Yuan J, Brüschweiler R.

J Phys Chem C Nanomater Interfaces. 2016 Oct 27;120(42):24463-24468. doi: 10.1021/acs.jpcc.6b08213. Epub 2016 Sep 21.


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.


Decoding the Mobility and Time Scales of Protein Loops.

Gu Y, Li DW, Brüschweiler R.

J Chem Theory Comput. 2015 Mar 10;11(3):1308-14. doi: 10.1021/ct501085y.


Dual allosteric activation mechanisms in monomeric human glucokinase.

Whittington AC, Larion M, Bowler JM, Ramsey KM, Brüschweiler R, Miller BG.

Proc Natl Acad Sci U S A. 2015 Sep 15;112(37):11553-8. doi: 10.1073/pnas.1506664112. Epub 2015 Aug 17.


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.


Two elephants in the room: new hybrid nuclear magnetic resonance and mass spectrometry approaches for metabolomics.

Bingol K, Brüschweiler R.

Curr Opin Clin Nutr Metab Care. 2015 Sep;18(5):471-7. doi: 10.1097/MCO.0000000000000206. Review.


Parsimony in Protein Conformational Change.

Chapman BK, Davulcu O, Skalicky JJ, Brüschweiler RP, Chapman MS.

Structure. 2015 Jul 7;23(7):1190-8. doi: 10.1016/j.str.2015.05.011. Epub 2015 Jun 18.


PPM_One: a static protein structure based chemical shift predictor.

Li D, Brüschweiler R.

J Biomol NMR. 2015 Jul;62(3):403-9. doi: 10.1007/s10858-015-9958-z. Epub 2015 Jun 20.


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.


Conformational heterogeneity and intrinsic disorder in enzyme regulation: Glucokinase as a case study.

Larion M, Miller B, Brüschweiler R.

Intrinsically Disord Proteins. 2015 Apr 22;3(1):e1011008. doi: 10.1080/21690707.2015.1011008. eCollection 2015.


NMR/MS Translator for the Enhanced Simultaneous Analysis of Metabolomics Mixtures by NMR Spectroscopy and Mass Spectrometry: Application to Human Urine.

Bingol K, Brüschweiler R.

J Proteome Res. 2015 Jun 5;14(6):2642-8. doi: 10.1021/acs.jproteome.5b00184. Epub 2015 Apr 30.


Reliable resonance assignments of selected residues of proteins with known structure based on empirical NMR chemical shift prediction.

Li DW, Meng D, Brüschweiler R.

J Magn Reson. 2015 May;254:93-7. doi: 10.1016/j.jmr.2015.02.013. Epub 2015 Mar 7.


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.


NMR Order Parameter Determination from Long Molecular Dynamics Trajectories for Objective Comparison with Experiment.

Gu Y, Li DW, Brüschweiler R.

J Chem Theory Comput. 2014 Jun 10;10(6):2599-607. doi: 10.1021/ct500181v.


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.


Protocol To Make Protein NMR Structures Amenable to Stable Long Time Scale Molecular Dynamics Simulations.

Li DW, Brüschweiler R.

J Chem Theory Comput. 2014 Apr 8;10(4):1781-7. doi: 10.1021/ct4010646.


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