| Year |
Citation |
Score |
| 2023 |
Li DW, Bruschweiler-Li L, Hansen AL, Brüschweiler R. DEEP Picker1D and Voigt Fitter1D: a versatile tool set for the automated quantitative spectral deconvolution of complex 1D-NMR spectra. Magnetic Resonance (Gottingen, Germany). 4: 19-26. PMID 37904796 DOI: 10.5194/mr-4-19-2023 |
0.303 |
|
| 2022 |
Yu L, Brüschweiler R. Quantitative prediction of ensemble dynamics, shapes and contact propensities of intrinsically disordered proteins. Plos Computational Biology. 18: e1010036. PMID 36084124 DOI: 10.1371/journal.pcbi.1010036 |
0.337 |
|
| 2021 |
Xiang X, Hansen AL, Yu L, Jameson G, Bruschweiler-Li L, Yuan C, Brüschweiler R. Observation of Sub-Microsecond Protein Methyl-Side Chain Dynamics by Nanoparticle-Assisted NMR Spin Relaxation. Journal of the American Chemical Society. PMID 34428032 DOI: 10.1021/jacs.1c04687 |
0.319 |
|
| 2021 |
Hansen AL, Kupče ER, Li DW, Bruschweiler-Li L, Wang C, Brüschweiler R. 2D NMR-Based Metabolomics with HSQC/TOCSY NOAH Supersequences. Analytical Chemistry. PMID 33821620 DOI: 10.1021/acs.analchem.0c05205 |
0.332 |
|
| 2021 |
Jameson G, Brüschweiler R. NMR Spin Relaxation Theory of Biomolecules Undergoing Highly Asymmetric Exchange with Large Interaction Partners. Journal of Chemical Theory and Computation. PMID 33749261 DOI: 10.1021/acs.jctc.1c00086 |
0.34 |
|
| 2020 |
Wardenfelt S, Xiang X, Xie M, Yu L, Bruschweiler-Li L, Bruschweiler R. Broadband Dynamics of Ubiquitin by Anionic and Cationic Nanoparticle-Assisted NMR Spin Relaxation. Angewandte Chemie (International Ed. in English). PMID 32909358 DOI: 10.1002/Anie.202007205 |
0.399 |
|
| 2020 |
Li DW, Xie M, Bruschweiler R. Quantitative cooperative binding model for intrinsically disordered proteins interacting with nanomaterials. Journal of the American Chemical Society. PMID 32426975 DOI: 10.1021/Jacs.0C01885 |
0.318 |
|
| 2019 |
Yu L, Li DW, Bruschweiler R. Balanced amino-acid specific molecular dynamics force field for the realistic simulation of both folded and disordered proteins. Journal of Chemical Theory and Computation. PMID 31877033 DOI: 10.1021/Acs.Jctc.9B01062 |
0.359 |
|
| 2019 |
Wang C, Zhang B, Timari I, Somogyi A, Li DW, Adcox HE, Gunn J, Bruschweiler-Li L, Bruschweiler R. Accurate and Efficient Determination of Unknown Metabolites in Metabolomics by NMR-Based Molecular Motif Identification. Analytical Chemistry. PMID 31718151 DOI: 10.1021/Acs.Analchem.9B03849 |
0.437 |
|
| 2019 |
Jameson G, Hansen AL, Li D, Bruschweiler-Li L, Bruschweiler R. Extreme Non-Uniform Sampling for Protein NMR Dynamics Studies in Minimal Time. Journal of the American Chemical Society. PMID 31560199 DOI: 10.1021/Jacs.9B08032 |
0.393 |
|
| 2019 |
Xie M, Yu L, Bruschweiler-Li L, Xiang X, Hansen AL, Brüschweiler R. Functional protein dynamics on uncharted time scales detected by nanoparticle-assisted NMR spin relaxation. Science Advances. 5: eaax5560. PMID 31453342 DOI: 10.1126/Sciadv.Aax5560 |
0.407 |
|
| 2019 |
Leggett A, Wang C, Li DW, Somogyi A, Bruschweiler-Li L, Brüschweiler R. Identification of Unknown Metabolomics Mixture Compounds by Combining NMR, MS, and Cheminformatics. Methods in Enzymology. 615: 407-422. PMID 30638535 DOI: 10.1016/Bs.Mie.2018.09.003 |
0.356 |
|
| 2019 |
Timari I, Wang C, Hansen AL, Costa Dos Santos G, Yoon SO, Bruschweiler-Li L, Bruschweiler R. Real-Time Pure Shift HSQC NMR for Untargeted Metabolomics. Analytical Chemistry. PMID 30608652 DOI: 10.1021/Acs.Analchem.8B04928 |
0.417 |
|
| 2019 |
Larion M, Hansen A, Bruschweiler-Li L, Tugarinov V, Brüschweiler R, Miller B. Specific 13CH3 Labeling and NMR Reveal the Role of Structural Dynamics to Enzymatic Function Biophysical Journal. 116: 470a. DOI: 10.1016/J.Bpj.2018.11.2540 |
0.321 |
|
| 2018 |
Yuan J, Zhang B, Wang C, Bruschweiler R. Carbohydrate background removal in metabolomics samples. Analytical Chemistry. PMID 30474970 DOI: 10.1021/Acs.Analchem.8B04482 |
0.377 |
|
| 2018 |
Xie M, Li D, Yuan J, Hansen A, Bruschweiler R. Quantitative Binding Behavior of Intrinsically Disordered Proteins to Nanoparticle Surfaces at Individual Residue Level. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30240067 DOI: 10.1002/Chem.201804556 |
0.309 |
|
| 2018 |
Cousin SF, Kaderavek P, Bolik-Coulon N, Gu Y, Charlier C, Carlier L, Bruschweiler-Li L, Marquardsen T, Tyburn JM, Bruschweiler R, Ferrage F. Time-resolved protein side-chain motions unraveled by high-resolution relaxometry and molecular dynamics simulations. Journal of the American Chemical Society. PMID 30192142 DOI: 10.1021/Jacs.8B09107 |
0.349 |
|
| 2018 |
Li D, Hansen A, Bruschweiler-Li L, Bruschweiler R. Non-Uniform and Absolute Minimal Sampling for High-Throughput Multidimensional NMR Applications. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29566285 DOI: 10.1002/Chem.201800954 |
0.416 |
|
| 2018 |
Zhang B, Xie M, Bruschweiler-Li L, Brüschweiler R. Nanoparticle-Assisted Metabolomics. Metabolites. 8. PMID 29533993 DOI: 10.3390/Metabo8010021 |
0.305 |
|
| 2018 |
Li D, Hansen AL, Bruschweiler‐Li L, Brüschweiler R. Frontispiece: Non‐Uniform and Absolute Minimal Sampling for High‐Throughput Multidimensional NMR Applications Chemistry – a European Journal. 24. DOI: 10.1002/Chem.201884563 |
0.335 |
|
| 2017 |
Wang C, He L, Li D, Bruschweiler-Li L, Marshall AG, Bruschweiler R. Accurate Identification of Unknown and Known Metabolic Mixture Components by Combining 3D NMR with FT-ICR MS/MS. Journal of Proteome Research. PMID 28795575 DOI: 10.1021/Acs.Jproteome.7B00457 |
0.354 |
|
| 2017 |
Li DW, Wang C, Brüschweiler R. Maximal clique method for the automated analysis of NMR TOCSY spectra of complex mixtures. Journal of Biomolecular Nmr. PMID 28573376 DOI: 10.1007/S10858-017-0119-4 |
0.416 |
|
| 2017 |
Hansen A, Li DW, Wang C, Bruschweiler R. Absolute Minimal Sampling of Homonuclear 2D NMR TOCSY Spectra for High-Throughput Applications of Complex Mixtures. Angewandte Chemie (International Ed. in English). PMID 28543988 DOI: 10.1002/Anie.201703587 |
0.391 |
|
| 2017 |
Yuan J, Zhang B, Bruschweiler R. Differential Attenuation of NMR Signals by Complementary Ion-Exchange Resin Beads for De Novo Analysis of Complex Metabolomics Mixtures. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28523725 DOI: 10.1002/Chem.201701572 |
0.413 |
|
| 2017 |
Davulcu O, Peng Y, Brüschweiler R, Skalicky JJ, Chapman MS. Elevated μs-ms timescale backbone dynamics in the transition state analog form of arginine kinase. Journal of Structural Biology. PMID 28495594 DOI: 10.1016/J.Jsb.2017.05.002 |
0.363 |
|
| 2017 |
Hoffmann F, Li DW, Sebastiani D, Bruschweiler R. Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution Toward the Validation of Unknowns. The Journal of Physical Chemistry. A. PMID 28388058 DOI: 10.1021/Acs.Jpca.7B01954 |
0.364 |
|
| 2017 |
Peng Y, Hansen AL, Bruschweiler-Li L, Davulcu O, Skalicky JJ, Chapman MS, Bruschweiler R. The Michaelis Complex of Arginine Kinase Samples the Transition State at a Frequency that Matches the Catalytic Rate. Journal of the American Chemical Society. PMID 28287709 DOI: 10.1021/Jacs.7B00236 |
0.33 |
|
| 2017 |
Gu Y, Li DW, Brüschweiler R. Statistical Database Analysis of the Role of Loop Dynamics for Protein-Protein Complex Formation and Allostery. Bioinformatics (Oxford, England). PMID 28200021 DOI: 10.1093/Bioinformatics/Btx070 |
0.366 |
|
| 2016 |
Bingol K, Li DW, Zhang B, Brüschweiler R. Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server. Analytical Chemistry. 88: 12411-12418. PMID 28193069 DOI: 10.1021/Acs.Analchem.6B03724 |
0.394 |
|
| 2016 |
Hansen AL, Brüschweiler R. Absolute Minimal Sampling in High-Dimensional NMR Spectroscopy. Angewandte Chemie (International Ed. in English). PMID 27723193 DOI: 10.1002/Anie.201608048 |
0.376 |
|
| 2016 |
Markley JL, Brüschweiler R, Edison AS, Eghbalnia HR, Powers R, Raftery D, Wishart DS. The future of NMR-based metabolomics. Current Opinion in Biotechnology. 43: 34-40. PMID 27580257 DOI: 10.1016/J.Copbio.2016.08.001 |
0.405 |
|
| 2016 |
Bingol K, Brüschweiler R. Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods. Current Opinion in Biotechnology. 43: 17-24. PMID 27552705 DOI: 10.1016/J.Copbio.2016.07.006 |
0.364 |
|
| 2016 |
Bingol K, Bruschweiler-Li L, Li D, Zhang B, Xie M, Brüschweiler R. Emerging new strategies for successful metabolite identification in metabolomics. Bioanalysis. PMID 26915807 DOI: 10.4155/Bio-2015-0004 |
0.36 |
|
| 2016 |
Gu Y, Hansen AL, Peng Y, Brüschweiler R. Rapid Determination of Fast Protein Dynamics from NMR Chemical Exchange Saturation Transfer Data. Angewandte Chemie (International Ed. in English). PMID 26821600 DOI: 10.1002/Anie.201511711 |
0.38 |
|
| 2016 |
Hansen AL, Brüschweiler R. Absolut minimales Sampling in der hochdimensionalen NMR-Spektroskopie Angewandte Chemie. 128: 14376-14379. DOI: 10.1002/Ange.201608048 |
0.348 |
|
| 2015 |
Zhang B, Xie M, Bruschweiler-Li L, Bruschweiler R. Nanoparticle-assisted removal of protein in human serum for metabolomics studies. Analytical Chemistry. PMID 26605638 DOI: 10.1021/Acs.Analchem.5B03889 |
0.306 |
|
| 2015 |
Gu Y, Li DW, Brüschweiler R. Decoding the Mobility and Time Scales of Protein Loops. Journal of Chemical Theory and Computation. 11: 1308-1314. PMID 26579776 DOI: 10.1021/Ct501085Y |
0.4 |
|
| 2015 |
Bingol K, Brüschweiler R. Two elephants in the room: new hybrid nuclear magnetic resonance and mass spectrometry approaches for metabolomics. Current Opinion in Clinical Nutrition and Metabolic Care. 18: 471-7. PMID 26154280 DOI: 10.1097/Mco.0000000000000206 |
0.314 |
|
| 2015 |
Li D, Brüschweiler R. PPM_One: a static protein structure based chemical shift predictor. Journal of Biomolecular Nmr. 62: 403-9. PMID 26091586 DOI: 10.1007/S10858-015-9958-Z |
0.374 |
|
| 2015 |
Zhang B, Xie M, Bruschweiler-Li L, Bingol K, Bruschweiler R. Use of Charged Nanoparticles in NMR-based Metabolomics for Spectral Simplification and Improved Metabolite Identification. Analytical Chemistry. PMID 26087125 DOI: 10.1021/Acs.Analchem.5B01142 |
0.343 |
|
| 2015 |
Larion M, Hansen AL, Zhang F, Bruschweiler-Li L, Tugarinov V, Miller BG, Brüschweiler R. Kinetic Cooperativity in Human Pancreatic Glucokinase Originates from Millisecond Dynamics of the Small Domain. Angewandte Chemie (International Ed. in English). 54: 8129-32. PMID 26013420 DOI: 10.1002/Anie.201501204 |
0.308 |
|
| 2015 |
Bingol K, Brüschweiler R. NMR/MS Translator for the Enhanced Simultaneous Analysis of Metabolomics Mixtures by NMR Spectroscopy and Mass Spectrometry: Application to Human Urine. Journal of Proteome Research. 14: 2642-8. PMID 25881480 DOI: 10.1021/Acs.Jproteome.5B00184 |
0.373 |
|
| 2015 |
Li DW, Meng D, Brüschweiler R. Reliable resonance assignments of selected residues of proteins with known structure based on empirical NMR chemical shift prediction. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 254: 93-7. PMID 25863893 DOI: 10.1016/J.Jmr.2015.02.013 |
0.442 |
|
| 2015 |
Bingol K, Bruschweiler-Li L, Yu C, Somogyi A, Zhang F, Brüschweiler R. Metabolomics beyond spectroscopic databases: a combined MS/NMR strategy for the rapid identification of new metabolites in complex mixtures. Analytical Chemistry. 87: 3864-70. PMID 25674812 DOI: 10.1021/Ac504633Z |
0.377 |
|
| 2015 |
Bingol K, Li DW, Bruschweiler-Li L, Cabrera OA, Megraw T, Zhang F, Brüschweiler R. Unified and isomer-specific NMR metabolomics database for the accurate analysis of (13)C-(1)H HSQC spectra. Acs Chemical Biology. 10: 452-9. PMID 25333826 DOI: 10.1021/Cb5006382 |
0.374 |
|
| 2014 |
Gu Y, Li DW, Brüschweiler R. NMR Order Parameter Determination from Long Molecular Dynamics Trajectories for Objective Comparison with Experiment. Journal of Chemical Theory and Computation. 10: 2599-607. PMID 26580780 DOI: 10.1021/Ct500181V |
0.411 |
|
| 2014 |
Li DW, Brüschweiler R. Protocol To Make Protein NMR Structures Amenable to Stable Long Time Scale Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 10: 1781-7. PMID 26580385 DOI: 10.1021/Ct4010646 |
0.425 |
|
| 2014 |
Bingol K, Bruschweiler-Li L, Li DW, Brüschweiler R. Customized metabolomics database for the analysis of NMR ¹H-¹H TOCSY and ¹³C-¹H HSQC-TOCSY spectra of complex mixtures. Analytical Chemistry. 86: 5494-501. PMID 24773139 DOI: 10.1021/Ac500979G |
0.366 |
|
| 2014 |
Bingol K, Brüschweiler R. Multidimensional approaches to NMR-based metabolomics. Analytical Chemistry. 86: 47-57. PMID 24195689 DOI: 10.1021/Ac403520J |
0.477 |
|
| 2013 |
Bingol K, Zhang F, Bruschweiler-Li L, Brüschweiler R. Quantitative analysis of metabolic mixtures by two-dimensional 13C constant-time TOCSY NMR spectroscopy. Analytical Chemistry. 85: 6414-20. PMID 23773204 DOI: 10.1021/Ac400913M |
0.38 |
|
| 2013 |
Anderson KM, Esadze A, Manoharan M, Brüschweiler R, Gorenstein DG, Iwahara J. Direct observation of the ion-pair dynamics at a protein-DNA interface by NMR spectroscopy. Journal of the American Chemical Society. 135: 3613-9. PMID 23406569 DOI: 10.1021/Ja312314B |
0.339 |
|
| 2013 |
Sun H, Long D, Brüschweiler R, Tugarinov V. Carbon relaxation in 13Cα-Hα and 13Cα-Dα spin pairs as a probe of backbone dynamics in proteins. The Journal of Physical Chemistry. B. 117: 1308-20. PMID 23311577 DOI: 10.1021/Jp312292K |
0.306 |
|
| 2012 |
Li DW, Brüschweiler R. Dynamic and Thermodynamic Signatures of Native and Non-Native Protein States with Application to the Improvement of Protein Structures. Journal of Chemical Theory and Computation. 8: 2531-9. PMID 26588978 DOI: 10.1021/Ct300358U |
0.362 |
|
| 2012 |
Long D, Brüschweiler R. Structural and Entropic Allosteric Signal Transduction Strength via Correlated Motions. The Journal of Physical Chemistry Letters. 3: 1722-6. PMID 26285736 DOI: 10.1021/Jz300488E |
0.344 |
|
| 2012 |
Zhang F, Bruschweiler-Li L, Brüschweiler R. High-resolution homonuclear 2D NMR of carbon-13 enriched metabolites and their mixtures. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 225: 10-3. PMID 23079590 DOI: 10.1016/J.Jmr.2012.09.006 |
0.399 |
|
| 2012 |
Bingol K, Zhang F, Bruschweiler-Li L, Brüschweiler R. TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database. Analytical Chemistry. 84: 9395-401. PMID 23016498 DOI: 10.1021/Ac302197E |
0.379 |
|
| 2012 |
Li DW, Brüschweiler R. PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles. Journal of Biomolecular Nmr. 54: 257-65. PMID 22972619 DOI: 10.1007/S10858-012-9668-8 |
0.427 |
|
| 2012 |
Shan B, Li DW, Brüschweiler-Li L, Brüschweiler R. Competitive binding between dynamic p53 transactivation subdomains to human MDM2 protein: implications for regulating the p53·MDM2/MDMX interaction. The Journal of Biological Chemistry. 287: 30376-84. PMID 22807444 DOI: 10.1074/Jbc.M112.369793 |
0.315 |
|
| 2012 |
Bingol K, Zhang F, Bruschweiler-Li L, Brüschweiler R. Carbon backbone topology of the metabolome of a cell. Journal of the American Chemical Society. 134: 9006-11. PMID 22540339 DOI: 10.1021/Ja3033058 |
0.334 |
|
| 2012 |
Liao X, Long D, Li DW, Brüschweiler R, Tugarinov V. Probing side-chain dynamics in proteins by the measurement of nine deuterium relaxation rates per methyl group. The Journal of Physical Chemistry. B. 116: 606-20. PMID 22098066 DOI: 10.1021/Jp209304C |
0.356 |
|
| 2012 |
Robinette SL, Brüschweiler R, Schroeder FC, Edison AS. NMR in metabolomics and natural products research: two sides of the same coin. Accounts of Chemical Research. 45: 288-297. PMID 21888316 DOI: 10.1021/Ar2001606 |
0.397 |
|
| 2011 |
Li DW, Brüschweiler R. Iterative Optimization of Molecular Mechanics Force Fields from NMR Data of Full-Length Proteins. Journal of Chemical Theory and Computation. 7: 1773-82. PMID 26596440 DOI: 10.1021/Ct200094B |
0.329 |
|
| 2011 |
Long D, Brüschweiler R. Atomistic kinetic model for population shift and allostery in biomolecules. Journal of the American Chemical Society. 133: 18999-9005. PMID 22023352 DOI: 10.1021/Ja208813T |
0.351 |
|
| 2011 |
Brüschweiler R. Protein dynamics: whispering within. Nature Chemistry. 3: 665-6. PMID 21860449 DOI: 10.1038/Nchem.1124 |
0.373 |
|
| 2011 |
Bingol K, Brüschweiler R. Deconvolution of chemical mixtures with high complexity by NMR consensus trace clustering. Analytical Chemistry. 83: 7412-7. PMID 21848333 DOI: 10.1021/Ac201464Y |
0.401 |
|
| 2011 |
Salinas RK, Bruschweiler-Li L, Johnson E, Brüschweiler R. Ca2+ binding alters the interdomain flexibility between the two cytoplasmic calcium-binding domains in the Na+/Ca2+ exchanger. The Journal of Biological Chemistry. 286: 32123-31. PMID 21778234 DOI: 10.1074/Jbc.M111.249268 |
0.311 |
|
| 2011 |
Zandarashvili L, Li DW, Wang T, Brüschweiler R, Iwahara J. Signature of mobile hydrogen bonding of lysine side chains from long-range 15N-13C scalar J-couplings and computation. Journal of the American Chemical Society. 133: 9192-5. PMID 21591797 DOI: 10.1021/Ja202219N |
0.359 |
|
| 2011 |
Long D, Brüschweiler R. In silico elucidation of the recognition dynamics of ubiquitin. Plos Computational Biology. 7: e1002035. PMID 21533067 DOI: 10.1371/Journal.Pcbi.1002035 |
0.369 |
|
| 2011 |
Short T, Alzapiedi L, Brüschweiler R, Snyder D. A covariance NMR toolbox for MATLAB and OCTAVE. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 209: 75-8. PMID 21215669 DOI: 10.1016/J.Jmr.2010.11.018 |
0.365 |
|
| 2011 |
Esadze A, Li DW, Wang T, Brüschweiler R, Iwahara J. Dynamics of lysine side-chain amino groups in a protein studied by heteronuclear 1H−15N NMR spectroscopy. Journal of the American Chemical Society. 133: 909-19. PMID 21186799 DOI: 10.1021/Ja107847D |
0.375 |
|
| 2011 |
Niu X, Bruschweiler-Li L, Davulcu O, Skalicky JJ, Brüschweiler R, Chapman MS. Arginine kinase: joint crystallographic and NMR RDC analyses link substrate-associated motions to intrinsic flexibility. Journal of Molecular Biology. 405: 479-96. PMID 21075117 DOI: 10.1016/J.Jmb.2010.11.007 |
0.357 |
|
| 2010 |
Li DW, Showalter SA, Brüschweiler R. Entropy localization in proteins. The Journal of Physical Chemistry. B. 114: 16036-44. PMID 21077640 DOI: 10.1021/Jp109908U |
0.382 |
|
| 2010 |
Zhang F, Bruschweiler-Li L, Brüschweiler R. Simultaneous de novo identification of molecules in chemical mixtures by doubly indirect covariance NMR spectroscopy. Journal of the American Chemical Society. 132: 16922-7. PMID 21062057 DOI: 10.1021/Ja106781R |
0.392 |
|
| 2010 |
Larion M, Salinas RK, Bruschweiler-Li L, Brüschweiler R, Miller BG. Direct evidence of conformational heterogeneity in human pancreatic glucokinase from high-resolution nuclear magnetic resonance Biochemistry. 49: 7969-7971. PMID 20735087 DOI: 10.1021/Bi101098F |
0.379 |
|
| 2010 |
Li DW, Brüschweiler R. NMR-based protein potentials. Angewandte Chemie (International Ed. in English). 49: 6778-80. PMID 20715028 DOI: 10.1002/Anie.201001898 |
0.376 |
|
| 2010 |
Sheppard D, Li DW, Godoy-Ruiz R, Brüschweiler R, Tugarinov V. Variation in quadrupole couplings of alpha deuterons in ubiquitin suggests the presence of C(alpha)-H(alpha)...O=C hydrogen bonds. Journal of the American Chemical Society. 132: 7709-19. PMID 20476744 DOI: 10.1021/Ja101691S |
0.349 |
|
| 2010 |
Bingol K, Salinas RK, Brüschweiler R. Higher-Rank Correlation NMR Spectra with Spectral Moment Filtering. The Journal of Physical Chemistry Letters. 1: 1086-1089. PMID 20436937 DOI: 10.1021/Jz100264G |
0.396 |
|
| 2010 |
Weingarth M, Tekely P, Brüschweiler R, Bodenhausen G. Improving the quality of 2D solid-state NMR spectra of microcrystalline proteins by covariance analysis. Chemical Communications (Cambridge, England). 46: 952-4. PMID 20107661 DOI: 10.1039/B920844E |
0.385 |
|
| 2010 |
Li D, Brüschweiler R. Certification of Molecular Dynamics Trajectories with NMR Chemical Shifts Journal of Physical Chemistry Letters. 1: 246-248. DOI: 10.1021/Jz9001345 |
0.423 |
|
| 2009 |
Sheppard D, Li DW, Brüschweiler R, Tugarinov V. Deuterium spin probes of backbone order in proteins: 2H NMR relaxation study of deuterated carbon alpha sites. Journal of the American Chemical Society. 131: 15853-65. PMID 19821582 DOI: 10.1021/Ja9063958 |
0.411 |
|
| 2009 |
Snyder DA, Brüschweiler R. Generalized indirect covariance NMR formalism for establishment of multidimensional spin correlations. The Journal of Physical Chemistry. A. 113: 12898-903. PMID 19810742 DOI: 10.1021/Jp9070168 |
0.42 |
|
| 2009 |
Li DW, Meng D, Brüschweiler R. Short-range coherence of internal protein dynamics revealed by high-precision in silico study. Journal of the American Chemical Society. 131: 14610-1. PMID 19780553 DOI: 10.1021/Ja905340S |
0.379 |
|
| 2009 |
Zhang F, Robinette SL, Bruschweiler-Li L, Brüschweiler R. Web server suite for complex mixture analysis by covariance NMR. Magnetic Resonance in Chemistry : Mrc. 47: S118-22. PMID 19634130 DOI: 10.1002/Mrc.2486 |
0.406 |
|
| 2009 |
Markwick PR, Showalter SA, Bouvignies G, Brüschweiler R, Blackledge M. Structural dynamics of protein backbone phi angles: extended molecular dynamics simulations versus experimental (3) J scalar couplings. Journal of Biomolecular Nmr. 45: 17-21. PMID 19629714 DOI: 10.1007/S10858-009-9341-Z |
0.415 |
|
| 2009 |
Li DW, Brüschweiler R. A dictionary for protein side-chain entropies from NMR order parameters. Journal of the American Chemical Society. 131: 7226-7. PMID 19422234 DOI: 10.1021/Ja902477S |
0.401 |
|
| 2008 |
Snyder DA, Ghosh A, Zhang F, Szyperski T, Brüschweiler R. Z-matrix formalism for quantitative noise assessment of covariance nuclear magnetic resonance spectra. The Journal of Chemical Physics. 129: 104511. PMID 19044928 DOI: 10.1063/1.2975206 |
0.325 |
|
| 2008 |
Hus JC, Salmon L, Bouvignies G, Lotze J, Blackledge M, Brüschweiler R. 16-fold degeneracy of peptide plane orientations from residual dipolar couplings: analytical treatment and implications for protein structure determination. Journal of the American Chemical Society. 130: 15927-37. PMID 18959402 DOI: 10.1021/Ja804274S |
0.362 |
|
| 2008 |
Zhang F, Bruschweiler-Li L, Robinette SL, Brüschweiler R. Self-consistent metabolic mixture analysis by heteronuclear NMR. Application to a human cancer cell line. Analytical Chemistry. 80: 7549-53. PMID 18771235 DOI: 10.1021/Ac801116U |
0.399 |
|
| 2008 |
Robinette SL, Zhang F, Brüschweiler-Li L, Brüschweiler R. Web server based complex mixture analysis by NMR. Analytical Chemistry. 80: 3606-11. PMID 18422338 DOI: 10.1021/Ac702530T |
0.407 |
|
| 2008 |
Johnson E, Showalter SA, Brüschweiler R. A multifaceted approach to the interpretation of NMR order parameters: a case study of a dynamic alpha-helix. The Journal of Physical Chemistry. B. 112: 6203-10. PMID 18376887 DOI: 10.1021/Jp711160T |
0.416 |
|
| 2008 |
Johnson E, Bruschweiler-Li L, Showalter SA, Vuister GW, Zhang F, Brüschweiler R. Structure and dynamics of Ca2+-binding domain 1 of the Na+/Ca2+ exchanger in the presence and in the absence of Ca2+. Journal of Molecular Biology. 377: 945-55. PMID 18280495 DOI: 10.1016/J.Jmb.2008.01.046 |
0.306 |
|
| 2008 |
Snyder DA, Zhang F, Robinette SL, Bruschweiler-Li L, Brüschweiler R. Non-negative matrix factorization of two-dimensional NMR spectra: application to complex mixture analysis. The Journal of Chemical Physics. 128: 052313. PMID 18266430 DOI: 10.1063/1.2816782 |
0.375 |
|
| 2007 |
Showalter SA, Brüschweiler R. Validation of Molecular Dynamics Simulations of Biomolecules Using NMR Spin Relaxation as Benchmarks: Application to the AMBER99SB Force Field. Journal of Chemical Theory and Computation. 3: 961-75. PMID 26627416 DOI: 10.1021/Ct7000045 |
0.425 |
|
| 2007 |
Showalter SA, Johnson E, Rance M, Brüschweiler R. Toward quantitative interpretation of methyl side-chain dynamics from NMR by molecular dynamics simulations. Journal of the American Chemical Society. 129: 14146-7. PMID 17973392 DOI: 10.1021/Ja075976R |
0.366 |
|
| 2007 |
Snyder DA, Xu Y, Yang D, Brüschweiler R. Resolution-enhanced 4D 15N/13C NOESY protein NMR spectroscopy by application of the covariance transform. Journal of the American Chemical Society. 129: 14126-7. PMID 17973386 DOI: 10.1021/Ja075533N |
0.374 |
|
| 2007 |
Chen Y, Zhang F, Brüschweiler R. Residual water suppression by indirect covariance NMR. Magnetic Resonance in Chemistry : Mrc. 45: 925-8. PMID 17876854 DOI: 10.1002/Mrc.2068 |
0.322 |
|
| 2007 |
Snyder DA, Zhang F, Brüschweiler R. Covariance NMR in higher dimensions: application to 4D NOESY spectroscopy of proteins. Journal of Biomolecular Nmr. 39: 165-75. PMID 17876709 DOI: 10.1007/S10858-007-9187-1 |
0.433 |
|
| 2007 |
Zhang F, Dossey AT, Zachariah C, Edison AS, Brüschweiler R. Strategy for automated analysis of dynamic metabolic mixtures by NMR. Application to an insect venom Analytical Chemistry. 79: 7748-7752. PMID 17822309 DOI: 10.1021/Ac0711586 |
0.433 |
|
| 2007 |
Showalter SA, Brüschweiler R. Quantitative molecular ensemble interpretation of NMR dipolar couplings without restraints. Journal of the American Chemical Society. 129: 4158-9. PMID 17367145 DOI: 10.1021/Ja070658D |
0.423 |
|
| 2007 |
Chen Y, Zhang F, Snyder D, Gan Z, Bruschweiler-Li L, Brüschweiler R. Quantitative covariance NMR by regularization. Journal of Biomolecular Nmr. 38: 73-7. PMID 17351818 DOI: 10.1007/S10858-007-9148-8 |
0.374 |
|
| 2007 |
Zhang F, Brüschweiler R. Robust deconvolution of complex mixtures by covariance TOCSY spectroscopy. Angewandte Chemie (International Ed. in English). 46: 2639-42. PMID 17335093 DOI: 10.1002/Anie.200604599 |
0.395 |
|
| 2006 |
Chen Y, Zhang F, Bermel W, Brüschweiler R. Enhanced covariance spectroscopy from minimal datasets. Journal of the American Chemical Society. 128: 15564-5. PMID 17147346 DOI: 10.1021/Ja065522E |
0.322 |
|
| 2006 |
Bouvignies G, Markwick P, Brüschweiler R, Blackledge M. Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings Journal of the American Chemical Society. 128: 15100-15101. PMID 17117856 DOI: 10.1021/Ja066704B |
0.403 |
|
| 2006 |
Yang M, Yordanov B, Levy Y, Brüschweiler R, Huo S. The sequence-dependent unfolding pathway plays a critical role in the amyloidogenicity of transthyretin. Biochemistry. 45: 11992-2002. PMID 17002298 DOI: 10.1021/Bi0609927 |
0.306 |
|
| 2006 |
Ming D, Brüschweiler R. Reorientational contact-weighted elastic network model for the prediction of protein dynamics: comparison with NMR relaxation. Biophysical Journal. 90: 3382-8. PMID 16500967 DOI: 10.1529/Biophysj.105.071902 |
0.378 |
|
| 2005 |
Bouvignies G, Bernadó P, Meier S, Cho K, Grzesiek S, Brüschweiler R, Blackledge M. Identification of slow correlated motions in proteins using residual dipolar and hydrogen-bond scalar couplings Proceedings of the National Academy of Sciences of the United States of America. 102: 13885-13890. PMID 16172390 DOI: 10.1073/Pnas.0505129102 |
0.349 |
|
| 2005 |
Zhang F, Trbovic N, Wang J, Brüschweiler R. Double-quantum biased covariance spectroscopy: application to the 2D INADEQUATE experiment. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 174: 219-22. PMID 15862237 DOI: 10.1016/J.Jmr.2005.02.013 |
0.301 |
|
| 2005 |
Yang M, Lei M, Bruschweiler R, Huo S. Initial conformational changes of human transthyretin under partially denaturing conditions. Biophysical Journal. 89: 433-43. PMID 15821170 DOI: 10.1529/Biophysj.105.059642 |
0.306 |
|
| 2004 |
Trbovic N, Smirnov S, Zhang F, Brüschweiler R. Covariance NMR spectroscopy by singular value decomposition. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 171: 277-83. PMID 15546754 DOI: 10.1016/J.Jmr.2004.08.007 |
0.374 |
|
| 2004 |
Zhang F, Brüschweiler R. Indirect covariance NMR spectroscopy. Journal of the American Chemical Society. 126: 13180-1. PMID 15479045 DOI: 10.1021/Ja047241H |
0.401 |
|
| 2004 |
Griesinger C, Peti W, Meiler J, Brüschweiler R. Projection angle restraints for studying structure and dynamics of biomolecules Methods in Molecular Biology (Clifton, N.J.). 278: 107-121. PMID 15317994 DOI: 10.1385/1-59259-809-9:107 |
0.394 |
|
| 2004 |
Brüschweiler R, Zhang F. Covariance nuclear magnetic resonance spectroscopy. The Journal of Chemical Physics. 120: 5253-60. PMID 15267396 DOI: 10.1063/1.1647054 |
0.417 |
|
| 2004 |
Brüschweiler R. Theory of covariance nuclear magnetic resonance spectroscopy. The Journal of Chemical Physics. 121: 409-14. PMID 15260561 DOI: 10.1063/1.1755652 |
0.417 |
|
| 2004 |
Zhang F, Brüschweiler R. Spectral deconvolution of chemical mixtures by covariance NMR. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 794-6. PMID 15253306 DOI: 10.1002/Cphc.200301073 |
0.393 |
|
| 2004 |
Ming D, Brüschweiler R. Prediction of methyl-side chain dynamics in proteins. Journal of Biomolecular Nmr. 29: 363-8. PMID 15213434 DOI: 10.1023/B:Jnmr.0000032612.70767.35 |
0.341 |
|
| 2003 |
Jin C, Prompers JJ, Brüschweiler R. Cross-correlation suppressed T1 and NOE experiments for protein side-chain 13CH2 groups. Journal of Biomolecular Nmr. 26: 241-7. PMID 12766420 DOI: 10.1023/A:1023833407515 |
0.32 |
|
| 2003 |
Hus JC, Peti W, Griesinger C, Brüschweiler R. Self-consistency analysis of dipolar couplings in multiple alignments of ubiquitin. Journal of the American Chemical Society. 125: 5596-7. PMID 12733874 DOI: 10.1021/Ja029719S |
0.401 |
|
| 2003 |
Brüschweiler R. New approaches to the dynamic interpretation and prediction of NMR relaxation data from proteins. Current Opinion in Structural Biology. 13: 175-183. PMID 12727510 DOI: 10.1016/S0959-440X(03)00036-8 |
0.427 |
|
| 2002 |
Hus J, Brüschweiler R. Principal component method for assessing structural heterogeneity across multiple alignment media. Journal of Biomolecular Nmr. 24: 123-132. PMID 12495028 DOI: 10.1023/A:1020927930910 |
0.384 |
|
| 2002 |
Brüschweiler R. Efficient RMSD measures for the comparison of two molecular ensembles Proteins. 50: 26-34. PMID 12471596 DOI: 10.1002/Prot.10250 |
0.356 |
|
| 2002 |
Zhang F, Brüschweiler R. Contact model for the prediction of NMR N-H order parameters in globular proteins. Journal of the American Chemical Society. 124: 12654-5. PMID 12392400 DOI: 10.1021/Ja027847A |
0.383 |
|
| 2002 |
Hus J, Prompers JJ, Brüschweiler R. Assignment strategy for proteins with known structure. Journal of Magnetic Resonance. 157: 119-123. PMID 12202140 DOI: 10.1006/Jmre.2002.2569 |
0.429 |
|
| 2002 |
Peti W, Meiler J, Brüschweiler R, Griesinger C. Model-free analysis of protein backbone motion from residual dipolar couplings Journal of the American Chemical Society. 124: 5822-5833. PMID 12010057 DOI: 10.1021/Ja011883C |
0.363 |
|
| 2002 |
Prompers JJ, Brüschweiler R. General Framework for Studying the Dynamics of Folded and Nonfolded Proteins by NMR Relaxation Spectroscopy and MD Simulation Journal of the American Chemical Society. 124: 4522-4534. PMID 11960483 DOI: 10.1021/Ja012750U |
0.451 |
|
| 2002 |
Prompers JJ, Brüschweiler R. Dynamic and structural analysis of isotropically distributed molecular ensembles. Proteins. 46: 177-189. PMID 11807946 DOI: 10.1002/Prot.10025 |
0.38 |
|
| 2002 |
Hus J, Brüschweiler R. Reconstruction of interatomic vectors by principle component analysis of nuclear magnetic resonance data in multiple alignments Journal of Chemical Physics. 117: 1166-1172. DOI: 10.1063/1.1485727 |
0.356 |
|
| 2001 |
Prompers JJ, Brüschweiler R. Reorientational eigenmode dynamics : a combined MD/NMR relaxation analysis method for flexible parts in globular proteins Journal of the American Chemical Society. 123: 7305-7313. PMID 11472158 DOI: 10.1021/Ja0107226 |
0.446 |
|
| 2001 |
Meiler J, Prompers JJ, Peti W, Griesinger C, Brüschweiler R. Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins Journal of the American Chemical Society. 123: 6098-6107. PMID 11414844 DOI: 10.1021/Ja010002Z |
0.406 |
|
| 2001 |
Prompers JJ, Scheurer C, Brüschweiler R. Characterization of NMR relaxation-active motions of a partially folded A-state analogue of ubiquitin. Journal of Molecular Biology. 305: 1085-1097. PMID 11162116 DOI: 10.1006/Jmbi.2000.4353 |
0.404 |
|
| 2000 |
Prompers JJ, Bruschweiler R. Thermodynamic interpretation of NMR relaxation parameters in proteins in the presence of motional correlations Journal of Physical Chemistry B. 104: 11416-11424. DOI: 10.1021/Jp0026033 |
0.412 |
|
| 2000 |
Case DA, Scheurer C, Bruschweiler R. Static and dynamic effects on vicinal scalar J couplings in proteins and peptides: A MD/DFT analysis Journal of the American Chemical Society. 122: 10390-10397. DOI: 10.1021/Ja001798P |
0.395 |
|
| 1999 |
Scheurer C, Skrynnikov NR, Lienin SF, Straus SK, Brüschweiler R, Ernst RR. Effects of dynamics and environment on 15N chemical shielding anisotropy in proteins. A combination of density functional theory, molecular dynamics simulation, and NMR relaxation Journal of the American Chemical Society. 121: 4242-4251. DOI: 10.1021/Ja984159B |
0.418 |
|
| 1998 |
Lienin SF, Brüschweiler R, Ernst RR. Rotational Motion of a Solute Molecule in a Highly Viscous Liquid Studied by 13C NMR: 1,3-Dibromoadamantane in Polymeric Chlorotrifluoroethene Journal of Magnetic Resonance (San Diego, Calif. : 1997). 131: 184-90. PMID 9571091 DOI: 10.1006/Jmre.1998.1368 |
0.387 |
|
| 1998 |
Mádi ZL, Brüschweiler R, Ernst RR. One- and two-dimensional ensemble quantum computing in spin Liouville space The Journal of Chemical Physics. 109: 10603-10611. DOI: 10.1063/1.477759 |
0.309 |
|
| 1998 |
Skrynnikov NR, Lienin SF, Brüschweiler R, Ernst RR. Efficient scalar spin relaxation in the rotating frame for matched radio-frequency fields Journal of Chemical Physics. 108: 7662-7669. DOI: 10.1063/1.476202 |
0.321 |
|
| 1998 |
Lienin SF, Bremi T, Brutscher B, Brüschweiler R, Ernst RR. Anisotropic Intramolecular Backbone Dynamics of Ubiquitin Characterized by NMR Relaxation and MD Computer Simulation Journal of the American Chemical Society. 120: 9870-9879. DOI: 10.1021/Ja9810179 |
0.373 |
|
| 1998 |
Brüschweiler R. Dipolar averaging in NMR Spectroscopy: From polarization transfer to cross relaxation Progress in Nuclear Magnetic Resonance Spectroscopy. 32: 1-19. DOI: 10.1016/S0079-6565(97)00010-1 |
0.328 |
|
| 1998 |
Fel'dman E, Brüschweiler R, Ernst R. From regular to erratic quantum dynamics in long spin 1/2 chains with an XY Hamiltonian Chemical Physics Letters. 294: 297-304. DOI: 10.1016/S0009-2614(98)00887-2 |
0.326 |
|
| 1997 |
Brutscher B, Brüschweiler R, Ernst RR. Backbone dynamics and structural characterization of the partially folded A state of ubiquitin by 1H, 13C, and 15N nuclear magnetic resonance spectroscopy. Biochemistry. 36: 13043-53. PMID 9335566 DOI: 10.1021/Bi971538T |
0.385 |
|
| 1997 |
Bremi T, Bruschweiler R. Locally anisotropic internal polypeptide backbone dynamics by NMR relaxation Journal of the American Chemical Society. 119: 6672-6673. DOI: 10.1021/Ja9708676 |
0.392 |
|
| 1997 |
Skrynnikov NR, Brüschweiler R. Comment on “Nuclear spin relaxation and non-ergodic quasi-equilibria” Chemical Physics Letters. 281: 239-242. DOI: 10.1016/S0009-2614(97)01064-6 |
0.312 |
|
| 1997 |
Brüschweiler R. Nuclear spin relaxation and non-ergodic quasi-equilibria Chemical Physics Letters. 270: 217-221. DOI: 10.1016/S0009-2614(97)00329-1 |
0.334 |
|
| 1997 |
Mádi Z, Brutscher B, Schulte-Herbrüggen T, Brüschweiler R, Ernst R. Time-resolved observation of spin waves in a linear chain of nuclear spins Chemical Physics Letters. 268: 300-305. DOI: 10.1016/S0009-2614(97)00194-2 |
0.317 |
|
| 1997 |
Brüschweiler R, Ernst R. A Cog-Wheel Model for Nuclear-Spin Propagation in Solids Journal of Magnetic Resonance. 124: 122-126. DOI: 10.1006/Jmre.1996.1002 |
0.337 |
|
| 1996 |
Brüschweiler R. Cross-correlation-induced J coupling Chemical Physics Letters. 257: 119-122. DOI: 10.1016/0009-2614(96)00535-0 |
0.377 |
|
| 1995 |
Brüschweiler R, Liao X, Wright PE. Long-range motional restrictions in a multidomain zinc-finger protein from anisotropic tumbling Science. 268: 886-889. PMID 7754375 DOI: 10.1126/Science.7754375 |
0.424 |
|
| 1995 |
Brüschweiler R, Morikis D, Wright PE. Hydration of the partially folded peptide RN-24 studied by multidimensional NMR Journal of Biomolecular Nmr. 5: 353-356. PMID 7647554 DOI: 10.1007/Bf00182277 |
0.305 |
|
| 1995 |
Brüschweiler R. Collective protein dynamics and nuclear spin relaxation Journal of Chemical Physics. 102: 3396-3403. DOI: 10.1063/1.469213 |
0.407 |
|
| 1994 |
Brüschweiler R, Case DA. Collective NMR relaxation model applied to protein dynamics. Physical Review Letters. 72: 940-943. PMID 10056573 DOI: 10.1103/Physrevlett.72.940 |
0.414 |
|
| 1994 |
Merutka G, Morikis D, Brüschweiler R, Wright PE. NMR evidence for multiple conformations in a highly helical model peptide. Biochemistry. 32: 13089-97. PMID 8241163 DOI: 10.1021/Bi00211A019 |
0.393 |
|
| 1994 |
Brüschweiler R, Case DA. Characterization of biomolecular structure and dynamics by NMR cross relaxation Progress in Nuclear Magnetic Resonance Spectroscopy. 26: 27-58. DOI: 10.1016/0079-6565(94)80003-0 |
0.39 |
|
| 1994 |
Brüschweiler R, Wright PE. Water self-diffusion model for protein-water NMR cross relaxation Chemical Physics Letters. 229: 75-81. DOI: 10.1016/0009-2614(94)01011-0 |
0.334 |
|
| 1993 |
Blackledge MJ, Brüschweiler R, Griesinger C, Schmidt JM, Xu P, Ernst RR. Conformational backbone dynamics of the cyclic decapeptide antamanide. Application of a new multiconformational search algorithm based on NMR data. Biochemistry. 32: 10960-74. PMID 8218162 DOI: 10.1021/Bi00092A005 |
0.407 |
|
| 1993 |
Morikis D, Bruschweiler R, Wright PE. Determination of local ligand conformations in slowly tumbling proteins by homonuclear 2D and 3D NMR: application to heme propionates in leghemoglobin Journal of the American Chemical Society. 115: 6238-6246. DOI: 10.1021/Ja00067A043 |
0.417 |
|
| 1992 |
Brüschweiler R, Ernst RR. Molecular dynamics monitored by cross‐correlated cross relaxation of spins quantized along orthogonal axes The Journal of Chemical Physics. 96: 1758-1766. DOI: 10.1063/1.462131 |
0.41 |
|
| 1991 |
Brüschweiler R, Blackledge M, Ernst RR. Multi-conformational peptide dynamics derived from NMR data: a new search algorithm and its application to antamanide. Journal of Biomolecular Nmr. 1: 3-11. PMID 1841688 DOI: 10.1007/Bf01874565 |
0.387 |
|
| 1990 |
Roux B, Brüschweiler R, Ernst RR. The structure of gramicidin A in dimethylsulfoxide/acetone. European Journal of Biochemistry / Febs. 194: 57-60. PMID 1701388 DOI: 10.1111/J.1432-1033.1990.Tb19426.X |
0.316 |
|
| 1990 |
Griesinger C, Brüschweiler R, Madi ZL, Sørensen OW, Ernst RR. Recent achievements in multidimensional NMR Makromolekulare Chemie. Macromolecular Symposia. 34: 17-31. DOI: 10.1002/Masy.19900340103 |
0.402 |
|
| 1988 |
Brüschweiler R, Griesinger C, Sørensen OW, Ernst RR. Combined use of hard and soft pulses for ω1 decoupling in two-dimensional NMR spectroscopy Journal of Magnetic Resonance. 78: 178-185. DOI: 10.1016/0022-2364(88)90171-0 |
0.328 |
|
| 1987 |
Brüschweiler R, Madsen JC, Griesinger C, Sørensen OW, Ernst RR. Two-dimensional NMR spectroscopy with soft pulses Journal of Magnetic Resonance (1969). 73: 380-385. DOI: 10.1016/0022-2364(87)90215-0 |
0.366 |
|
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