2011-current, 2006-2010, 2001-2005, 1996-2000, 1995 and earlier

2024

• Nick Rigel, Da-Wei Li, and Rafael Brüschweiler: COLMARppm: A Web Server Tool for the Accurate and Rapid Prediction of ¹H and ¹³C NMR Chemical Shifts of Organic Molecules and Metabolites. Analytical Chemistry 2024 96 (2), 701-709
• Yuan, C., Hansen, A.L., Bruschweiler-Li, L. and Bruschweiler, R; NMR ¹H, ¹³C, ¹⁵N backbone resonance assignments of wild-type human K-Ras and its oncogenic mutants G12D and G12C bound to GTP. Biomol NMR Assign 18, 7–13 (2024).

2023

• Hansen, A.L., Xiang, X., Yuan, C., Bruschweiler-Li, L. and Bruschweiler, R; Excited-state observation of active K-Ras reveals differential structural dynamics of wild-type versus oncogenic G12D and G12C mutants. Nat Struct Mol Biol 30, 1446–1455 (2023).
• Ma P, Li D-W, Brüschweiler R. Predicting protein flexibility with AlphaFold. Proteins. 2023; 91(6): 847–855.
• Li, D.-W., Bruschweiler-Li, L., Hansen, A. L., and Brüschweiler, R.; DEEP Picker1D and Voigt Fitter1D: a versatile tool set for the automated quantitative spectral deconvolution of complex 1D-NMR spectra, Magn. Reson., 4, 19–26.
• Allpas, R. C., L. Hansen, A., & Rafael Brüschweiler; Arche-Noah: NMR supersequence with five different CEST experiments for studying protein conformational dynamics. Physical Chemistry Chemical Physics. 2023, 25, 16217-16221

2022

• Li, D.W.; Leggett, Abigail; Bruschweiler-Li, Lei and Bruschweiler, R; COLMARq: A Web Server for 2D NMR Peak Picking and Quantitative Comparative Analysis of Cohorts of Metabolomics Samples. Anal. Chem. 2022, 94, 24, 8674–8682
• Leggett A, Li D-W, Sindeldecker D, Staats A, Rigel N, Bruschweiler-Li L, Brüschweiler R and Stoodley P; Cadaverine Is a Switch in the Lysine Degradation Pathway in Pseudomonas aeruginosa Biofilm Identified by Untargeted Metabolomics. Front. Cell. Infect. Microbiol. 12:833269
• Li, D.W.; Hansen, Alexandar L.; Yuan, Chunhua ;Bruschweiler-Li, Lei and Bruschweiler, R; Fundamental and practical aspects of machine learning for the peak picking of biomolecular NMR spectra. J. Bio. NMR 76 (3), 49
• Gregory Jameson, Xinyao Xiang, and Rafael Brüschweiler; Quantitative Multistate Binding Model of Silica Nanoparticle–Protein Interactions Obtained from Multinuclear Spin Relaxation The Journal of Physical Chemistry B 2022 126 (44), 9089-9094
• Leggett, A., Li, DW., Bruschweiler-Li, L. Sullivan, A., Stoodley, P., and Rafael Brüschweiler Differential metabolism between biofilm and suspended Pseudomonas aeruginosa cultures in bovine synovial fluid by 2D NMR-based metabolomics. Sci Rep 12, 17317 (2022).
• Yu, L., & Brüschweiler, R. (n.d.). Quantitative prediction of ensemble dynamics, shapes and contact propensities of intrinsically disordered proteins. PLOS Computational Biology.

2021

• Yu, L.; Li, D.W. and Bruschweiler, R; Systematic Differences between Current Molecular Dynamics Force Fields To Represent Local Properties of Intrinsically Disordered Proteins. J. Phys. Chem. B. 2021, 125, 3, 798–804
• Li, D.W.; Hansen, Alexandar L.; Yuan, Chunhua ;Bruschweiler-Li, Lei and Bruschweiler, R; DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra. Nature Communications, 5229 (2021)
• Xinyao Xiang, Alexandar L. Hansen, Lei Yu, Gregory Jameson, Lei Bruschweiler-Li, Chunhua Yuan, and Rafael Brüschweiler; Observation of Sub-Microsecond Protein Methyl-Side Chain Dynamics by Nanoparticle-Assisted NMR Spin Relaxation; J. Am. Chem. Soc. 2021, 143, 34, 13593–13604
• Jonathan R.J. Yong, Alexandar L. Hansen, Ēriks Kupče, Tim D.W. Claridge,; Increasing sensitivity and versatility in NMR supersequences with new HSQC-based modules; Journal of Magnetic Resonance, 329(2021) 107027
• Alexandar L. Hansen*, E̅riks Kupče, Da-Wei Li, Lei Bruschweiler-Li, Cheng Wang, and Rafael Brüschweiler; 2D NMR-Based Metabolomics with HSQC/TOCSY NOAH Supersequences; Anal. Chem. 2021, 93, 15, 6112–6119
• Radoslav Z. Pavlović,Remy F. Lalisse,Dr. Alexandar L. Hansen,Dr. Christopher A. Waudby,Dr. Zhiquan Lei,Prof. Murat Güney,Xiuze Wang,Prof. Christopher M. Hadad,Prof. Jovica D. Badjić; From Selection to Instruction and Back: Competing Conformational Selection and Induced Fit Pathways in Abiotic Hosts; Angew Chem Int Edit,  60(2021) 19942
• Wardenfelt, S.; Xiang, X. Y.; Xie, M. Z.; Yu, L.; Bruschweiler-Li, L.; Bruschweiler, R., Broadband Dynamics of Ubiquitin by Anionic and Cationic Nanoparticle Assisted NMR Spin Relaxation. Angew Chem Int Edit, 148 (60)

2020

• Yu, L.; Li, D.W. and Bruschweiler, R; Balanced amino-acid specific molecular dynamics force field for the realistic simulation of both folded and disordered proteins. J. Chem. Theor. Comput. 1311 (16)
• Li, D. W.; Xie, M. Z.; Bruschweiler, R., Quantitative Cooperative Binding Model for Intrinsically Disordered Proteins Interacting with Nanomaterials. J Am Chem Soc 10730 (142)
• Jameson, G.; Bruschweiler, R., Active Learning Approach for an Intuitive Understanding of the Boltzmann Distribution by Basic Computer Simulations. J Chem Educ, 3910 (97)
• Wang, C.; Timari, I.; Zhang, B.; Li, D. W.; Leggett, A.; Amer, A. O.; Bruschweiler-Li, L.; Kopec, R. E.; Bruschweiler, R., COLMAR Lipids Web Server and Ultrahigh-Resolution Methods for Two-Dimensional Nuclear Magnetic Resonance- and Mass Spectrometry-Based Lipidomics. J Proteome Res, 1674 (19)
• Behrman EJ, Hansen AL, Yuan C, Parkin S. 4,15-Dimethyl-7,12-diazo-niatri-cyclo-[10.4.0.0^2,7]hexa-deca-1(12),2,4,6,13,15-hexa-ene dibromide monohydrate. Acta Crystallogr E Crystallogr Commun. 2020 Aug 18;76(Pt 9):1467-1471

2019

• Wang C, Zhang B, Timári I, Somogyi Á, Li DW, Adcox HE, Gunn JS, Bruschweiler-Li L and Brüschweiler R. Accurate and Efficient Determination of Unknown Metabolites in Metabolomics by NMR-Based Molecular Motif Identification. Analytical Chemistry, (91) 15686
• Gregory, J; Yu, L; Hansen, AL; LI, D.W., Bruschweiler-Li, L. and Bruschweiler, R; Extreme Nonuniform Sampling for Protein NMR Dynamics Studies in Minimal Time. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, (141) 16829
• Xie, MZ; Yu, L; Bruschweiler-Li, L; Xiang, XY; Hansen, AL; Bruschweiler, R; Functional protein dynamics on uncharted time scales detected by nanoparticle-assisted NMR spin relaxation. SCIENCE ADVANCES. (5) eaax5560
• Knobloch, TJ; Ryan, NM; Bruschweiler-Li, L; Wang, C; Bernier, MC; Somogyi, A; Yan, PS; Cooperstone, JL; Mo, XK; Bruschweiler, RP; Weghorst, CM; Oghumu, S. Metabolic Regulation of Glycolysis and AMP Activated Protein Kinase Pathways during Black Raspberry-Mediated Oral Cancer Chemoprevention. METABOLITES. (9) 140
• Istvan Timari, Cheng Wang, Alexandar L. Hansen, Gilson Costa dos Santos Jr, Sung Ok Yoon, Lei Bruschweiler-Li, and Rafael Bruschweiler Real-Time Pure Shift HSQC NMR for Untargeted Metabolomics. Anal. Chem. (91) 2304
• Leggett A, Wang C, Li DW, Somogyi A, Bruschweiler-Li L and Brüschweiler R. Identification of Unknown Metabolomics Mixture Compounds by Combining NMR, MS, and Cheminformatics; Methods Enzymol. (615) 407

2018

• Cousin, SF; Kaderavek, P; Bolik-Coulon, N; Gu, Y; Charlier, C; Garber, 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, (140) 13456
• Cousin, SF; Kaderavek, P; Bolik-Coulon, N; Gu, Y; Charlier, C; Garber, L; Bruschweiler-Li, L; Marquardsen, T; Tyburn, JM; Bruschweiler, R; Ferrage, F; Reprograming of Glucose Metabolism by Zerumbone Suppresses Hepatocarcinogenesis; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, (140) 13456
• Xie, MZ; Li, DW; Yuan, JQ; Hansen, AL; Bruschweiler, R. Quantitative Binding Behavior of Intrinsically Disordered Proteins to Nanoparticle Surfaces at Individual Residue Level. BIOCHEMISTRY. (57) 5096
• Yuan, JQ; Yuan, CH; Xie, MZ; Yu, L; Bruschweiler-Li, L; Bruschweiler, R; The Intracellular Loop of the Na+/Ca2+ Exchanger Contains an “Awareness Ribbon”-Shaped Two-Helix Bundle Domain; CHEMISTRY-A EUROPEAN JOURNAL. (24) 16997
• Yuan J, Zhang B, Wang C, Bruschweiler R. Carbohydrate background removal in metabolomics samples.;Anal. Chem. 2018 2018, 90 (24), pp 14100–14104
• Li D, Hansen AL, Bruschweiler-Li L, Brüschweiler R.. Non-Uniform and Absolute Minimal Sampling for High-Throughput Multidimensional NMR Applications..;Chemistry. 2018 , 24, 11535-11544
• Zhang B, Xie M, Bruschweiler-Li L, Brüschweiler R. Nanoparticle-Assisted Metabolomics..;Metabolites. 2018, 8, 21

2017

• Wang C, He L, Li DW, Bruschweiler-Li L, Marshall AG, Brüschweiler R. Accurate Identification of Unknown and Known Metabolic Mixture Components by Combining 3D NMR with Fourier Transform Ion Cyclotron Resonance Tandem Mass Spectrometry.;J Proteome Res. 2017 Oct 6;16(10):3774-3786
• 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; J Struct Biol. 2017  pii: S1047-8477(17)30082-5
• 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.; 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.; Am J Pathol. 2017 Dec;187(12):2758-2774
• Zhang B., Yuan J., Brüschweiler R.;Differential Attenuation of NMR Signals by Complementary Ion-Exchange Resin Beads for De Novo Analysis of Complex Metabolomics Mixtures; Chemistry. 2017, ASAP
• Hansen A., Li, D., Wang, C. and Brüschweiler R.;Absolute Minimal Sampling of Homonuclear 2D NMR TOCSY Spectra for High-Throughput Applications of Complex Mixtures; Angew Chem Int Ed Engl. 2017, ASAP
• Li, D., Wang, C. and Brüschweiler R.;Maximal clique method for the automated analysis of NMR TOCSY spectra of complex mixtures; J. Bio. NMR 2017, 68, 195-202
• Hoffmann F., Li, D., Sebastiani, D. and Brüschweiler R.;Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of Unknowns; J. Phys. Chem. A 2017, 121, 3071
• Peng, Y.,Hansen, A., Bruschweiler-Li, L.,Davulcu, O.,Skalicky, J.,Chapman, M. and Brüschweiler R.;The Michaelis Complex of Arginine Kinase Samples the Transition State at a Frequency That Matches the Catalytic Rate; J. Am. Chem. Soc. 2017, 139, 4846
• Gu Y., Li, D. and Brüschweiler R.;Statistical Database Analysis of the Role of Loop Dynamics for Protein-Protein Complex Formation and Allostery; Bioinformatics. 2017, 33, 1814-1819

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2016

• Hansen A., Brüschweiler R.;Absolute Minimal Sampling in High-Dimensional NMR Spectroscopy; Angew Chem Int Ed Engl. 2016, 55, 14169–14172
• 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 Anal. Chem. 2016, 88, 12411-12418.
• Snyder, D and Brüschweiler, R; Multi-dimensional Spin Correlations by Covariance NMR in  Modern NMR Approaches to the Structure Elucidation of Natural Products : Volume 1: Instrumentation and Software. Royal Society of Chemistry, 2016
• Xie, M; Hansen, A; Yuan J, Brüschweiler, R; Residue-Specific Interactions of an Intrinsically Disordered Protein with Silica Nanoparticles and Their Quantitative Prediction J. Phys. Chem. C, 2016, 120,24463–24468
• Markley JL, Brüschweiler R, Edison AS, Eghbalnia HR, Powers R, Raftery D, Wishart DS.; The future of NMR-based metabolomics; Curr Opin Biotechnol. 2016;43:34-40.
• Bingol K, Brüschweiler R.; Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods. Curr Opin Biotechnol. 2016;43:17-24
• Michael H. Godsey, Omar Davulcu, Jay C. Nix, Jack J. Skalicky, Rafael P. Brüschweiler, Michael S. Chapman; The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase; Structure, 2016,24, 1658–1667
• Gu, Y;Hansen, L;Peng, L and Brüschweiler, R; Rapid Determination of Fast Protein Dynamics from NMR Chemical Exchange Saturation Transfer Data. Angew Chem Int Ed Engl. 2016,55,3117–3119
• Bingol, K; Bruschweiler-Li, L; Li, D; Zhang, B; Xie, M & Brüschweiler, R; Emerging new strategies for successful metabolite identification in metabolomics. Bioanalysis. 2016, 8, 557-573
• Zhang, B, Xie M, Bruschweiler-Li, L, and Brüschweiler R; Nanoparticle-Assisted Removal of Protein in Human Serum for Metabolomics Studies; Anal. Chem., 2016, 88,1003–1007
• Abiko, L;Vitale, P;Favaro, D; Hauk, P;Li, D;Yuan, J;Bruschweiler-Li, L;Salinas, R;Brüschweiler, R; Model for the allosteric regulation of the Na+/Ca2+ exchanger NCX; Proteins: Structure, Function, and Bioinformatics 2016, 84, 580-590

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2015

• Bingol, K.; Bruschweiler, R., Two elephants in the room: new hybrid nuclear magnetic resonance and mass spectrometry approaches for metabolomics. Curr Opin Clin Nutr Metab Care 2015, 18 , 471-477.
• Meng D, Bruschweiler-Li L, Zhang F, Brüschweiler R. Modulation and Functional Role of the Orientations of the N- and P-Domains of Cu(+)-Transporting ATPase along the Ion Transport Cycle. Biochemistry. 2015, 54, 5095-5102
• Whittingtona AC, Larionb,M, Bowlera J, Ramseyc K, Brüschweilerb R and Miller B; Dual allosteric activation mechanisms in monomeric human glucokinase. Proc. Natl. Acad. Sci. U S A. 2015, 112, 11553–11558
• Chapman BK, Davulcu O, Skalicky JJ, Brüschweiler R, Chapman MS; Parsimony in Protein Conformational Change. Structure. 2015, 23, 1190-1198
• 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. Anal Chem. 2015, 87, 7211–7217
• 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 Angew Chem Int Ed Engl. 2015, 54, 8129-8132
• Larion, M;Miller, B and Brüschweiler, R; Conformational heterogeneity and intrinsic disorder in enzyme regulation: Glucokinase as a case study Intrinsically Disordered Proteins,  2015. 3,1-4
• Li, D.; and Brüschweiler, R. PPM_One: a static protein structure based chemical shift predictor J. Biomol. NMR 2015, 62, 403-409
• 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  J. Proteome Res. 2015. 14, 2642-2648
• Bingol, K.; Bruschweiler-Li, L.; Cao. Y.; 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  Anal. Chem. 2015, 87, 3864-3870.
• Li, D.; and Brüschweiler, R. Reliable resonance assignments of selected residues of proteins with known structure based on empirical NMR chemical shift prediction J. Magn. Reson., 2015, 254, 93-97
• Gu, Y.; Li, D.; and Brüschweiler, R. Decoding the Mobility and Time Scales of Protein Loops J. Chem. Theory Comput. , 2015, 11, 1308-1314
• Meng, D.; Bruschweiler-Li, L.; Zhang, F and Brüschweiler, R. NMR backbone resonance assignments of the N, P domains of CopA, a copper-transporting ATPase, in the apo and ligand bound states Biomolecular NMR Assignments, 2015, 9, 129-133

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2014

• Bingol, K.; Li, D.;Bruschweiler-Li, L.;Cabrera, O; Megraw, T; Zhang, F and Brüschweiler, R. Unified and Isomer-Specific NMR Metabolomics Database for the Accurate Analysis of 13C–1H HSQC Spectra ACS Chemical Biology, 2015, 10, 452-459
• Gu, Y.; Li, D.; Brüschweiler, R. NMR Order Parameter Determination from Long MD Trajectories for Objective Comparison with Experiment Journal of Chemical Theory and Computation, 2014, 10, 2599–2607
• Bingol, K.;Bruschweiler-Li, L.; Li, D.; Brüschweiler , R. Customized Metabolomics Database for the Analysis of NMR 1H-1H TOCSY and 13C-1H HSQC-TOCSY Spectra of Complex Mixtures Analytical Chemistry, 2014, 86, 5494–5501
• Bingol, K.; Brüschweiler , R. Multidimensional Approaches to NMR-Based Metabolomics Anal. Chem.2014, 86, 47-57.
• Li, D.; Brüschweiler , R. Protocol To Make NMR Structures Amenable to Stable Long Time Scale Molecular Dynamics Simulations Journal of Chemical Theory and Computation.2014, 10, 1781-1787

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2013

• Anderson, K. M.; Esadze, A.; Manoharan, M.; Brüschweiler , R.; Gorenstein, D. G.; Iwahara, J. Direct Observation of the Ion-Pair Dynamics at a Protein-DNA Interface by NMR Spectroscopy. J. Am. Chem. Soc. 2013, 135, 3613-3619.
• Bingol, K.; Zhang, F.; Bruschweiler-Li, L.; Brüschweiler , R. Quantitative Analysis of Metabolic Mixtures by Two-Dimensional C-13 Constant-Time TOCSY NMR Spectroscopy. Anal. Chem. 2013, 85, 6414-6420
• Long, D.; Brüschweiler , R. Directional Selection Precedes Conformational Selection in UbiquitinUIM Binding. Angewandte Chemie-International Edition 2013, 52, 3709-3711.
• Sun, H.; Long, D.; Brüschweiler , R.; Tugarinov, V. Carbon Relaxation in C-13(Alpha)-H-Alpha and C-13(Alpha)-D-Alpha Spin Pairs as a Probe of Backbone Dynamics in Proteins. J Phys Chem B 2013, 117, 1308-1320.

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2012

• Bingol, K.; Zhang, F.; Bruschweiler-Li, L.; Brüschweiler , R. TOCCATA: A Customized Carbon Total Correlation Spectroscopy NMR Metabolomics Database. Anal. Chem. 2012, 84, 9395-9401.
• Bingol, K.; Zhang, F.; Bruschweiler-Li, L.; Brüschweiler , R. Carbon Backbone Topology of the Metabolome of a Cell. J. Am. Chem. Soc. 2012, 134, 9006-9011.
• Larion, M.; Salinas, R. K.; Bruschweiler-Li, L.; Miller, B. G.; Brüschweiler , R. Order-Disorder Transitions Govern Kinetic Cooperativity and Allostery of Monomeric Human Glucokinase. Plos Biology 2012, 10, e1001452.
• Li, D.; Brüschweiler , R. PPM: A Side-Chain and Backbone Chemical Shift Predictor for the Assessment of Protein Conformational Ensembles. J. Biomol. NMR 2012, 54, 257-265.
• Li, D.; 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 2012, 8, 2531-2539.
• Liao, X.; Long, D.; Li, D.; Brüschweiler , R.; Tugarinov, V. Probing Side-Chain Dynamics in Proteins by the Measurement of Nine Deuterium Relaxation Rates Per Methyl Group. J Phys Chem B 2012, 116, 606-620.
• Long, D.; Brüschweiler , R. Structural and Entropic Allosteric Signal Transduction Strength Via Correlated Motions. Journal of Physical Chemistry Letters 2012, 3, 1722-1726.
• Robinette, S. L.; Brüschweiler , R.; Schroeder, F. C.; Edison, A. S. NMR in Metabolomics and Natural Products Research: Two Sides of the Same Coin. Acc. Chem. Res. 2012, 45, 288-297.
• Shan, B.; Li, D.; Brüschweiler -Li, L.; Brüschweiler , R. Competitive Binding between Dynamic p53 Transactivation Subdomains to Human MDM2 Protein IMPLICATIONS FOR REGULATING THE p53.MDM2/MDMX INTERACTION. J. Biol. Chem. 2012, 287, 30376-30384.
• Zhang, F.; Bruschweiler-Li, L.; Brüschweiler , R. High-Resolution Homonuclear 2D NMR of Carbon-13 Enriched Metabolites and their Mixtures. Journal of Magnetic Resonance 2012, 225, 10-13.

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2011

• Bingol, K.; Brüschweiler , R. Deconvolution of Chemical Mixtures with High Complexity by NMR Consensus Trace Clustering. Anal. Chem. 2011, 83, 7412-7417.
• Brüschweiler , R. PROTEIN DYNAMICS Whispering within. Nature Chemistry 2011, 3, 665-666.
• Long, D.; Brüschweiler , R. Atomistic Kinetic Model for Population Shift and Allostery in Biomolecules. J. Am. Chem. Soc. 2011, 133, 18999-19005.
• Long, D.; Li, D.; Walter, K. F. A.; Griesinger, C.; Brüschweiler , R. Toward a Predictive Understanding of Slow Methyl Group Dynamics in Proteins. Biophys. J. 2011, 101, 910-915.
• D.W. Li and R. Brüschweiler, Iterative Optimization of Molecular Mechanics Force Fields from NMR Data of Full-Length Proteins , J. Chem. Theor. Comput. 7, 1773-1782 (2011)
• X. Niu, L. Bruschweiler-Li, O. Davulcu, J. Skalicki, R. Brüschweiler, and M. Chapman, Arginine Kinase: Joint Crystallographic and NMR RDC Analyses Link Substrate-Associated Motions to Intrinsic Flexibility , J. Mol. Biol. 405, 479-496 (2011)
• L. Zandarashvili, D.W. Li, T. Wang, R. Brüschweiler, J. Iwahara, Signature of Mobile Hydrogen Bonding of Lysine Side Chains from Long-Range 15N-13C Scalar J-Couplings and Computation , J. Am. Chem. Soc. 133, 9192-9195 (2011)
• D. Long and R. Brüschweiler, In silico elucidation of the recognition dynamics of ubiquitin , PLoS Comput Biol. 7, e1002035 (2011)
• T. Short, L. Alzapiedi, R. Brüschweiler, and D. A. Snyder, A covariance NMR toolbox for MATLAB and OCTAVE , J. Magn. Reson. 209, 75-78 (2011)
• A. Esadze, D.W. Li, T. Wang, R. Brüschweiler, and J. Iwahara, Dynamics of lysine side-chain amino groups in a protein studied by heteronuclear 1H−15N NMR spectroscopy , J. Am. Chem. Soc. 133, 909-919 (2011)
• R. Brüschweiler, Insights into Protein Dynamics from both sides of the Atlantic , Encyclopedia of Magnetic Resonance (2011)
• R. K. Salinas, L. Bruschweiler-Li, Eric Johnson, and R. Brüschweiler, Ca2+ Binding Alters the Interdomain Flexibility between the Two Cytoplasmic Calcium-binding Domains in the Na+/Ca2+ Exchanger, J. Biol. Chem. (2011)

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2010

• M. Weingarth, P. Tekely, R. Brüschweiler, and G. Bodenhausen, Improving the quality of 2D solid-state NMR spectra ofmicrocrystalline proteins by covariance analysis , Chem. Comm. 6, 952-954 (2010)
• D.W. Li and R. Brüschweiler, Certification of Molecular Dynamics Trajectories with NMR Chemical Shifts , J. Phys. Chem. Letters 1, 246-248 (2010)
• D. Sheppard, D.W. Li, R. Gody-Ruiz, R. Brüschweiler, and V. Tugarinov, Variation in quadrupole couplings of deuterons in ubiquitin suggests the presence of C-alpha-H-alpha…O=C hydrogen bonds , J. Am. Chem. Soc. 132, 7709-7719 (2010)
• M. Larion, R.K. Salinas, L. Bruschweiler-Li, and R. Brüschweiler, Direct evidence of conformational heterongeneity in human pancreatic glucokinase from high-resolution nuclear magnetic resonance , Biochemistry 49, 7969-7971 (2010)
• D.W. Li and R. Brüschweiler, NMR-Based Protein Potentials , Angewandte Chemie International Edition 49, 6778-6780 (2010)
• F. Zhang, L. Bruschweiler-Li, and R. Brüschweiler, Simultaneous de novo identification of molecules in chemical mixtures by doubly indirect covariance NMR spectroscopy , J. Am. Chem. Soc. 132, 16922-16927 (2010)
• Bingol, K; Salinas, RK; Bruschweiler, R, Higher-Rank Correlation NMR Spectra with Spectral Moment Filtering , J. Phys. Chem. Letters 1, 1086-1089 (2010)
• D.W. Li, Showalter SA, and R. Brüschweiler, Entropy Localization in Proteins , J. Phys. Chem. B 114, 16036-16044 (2010)

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2009

• L. Salmon, G. Bouvignies, P. Markwick, N. Lakomek, S.A. Showalter, D.W. Li, K. Walter, C. Griesinger, R. Brüschweiler, and M. Blackledge, Protein conformational flexibility from structure-free analysis of NMR dipolar couplings: quantitative and absolute determination of backbone motion in ubiquitin, Angew Chem Int Ed Engl. 2009;48(23):4154-7.
• D.W. Li, R. Brüschweiler,A dictionary for protein side-chain entropies from NMR order parameters, J Am Chem Soc. 2009 Jun 3;131(21):7226-7227
• D.W. Li, R. Brüschweiler, In silico relationship between configurational entropy and soft degrees of freedom in proteins and peptides, Phys Rev Lett. 2009 Mar 20;102(11):118108.
• D.W. Li, R. Brüschweiler, All-atom contact model for understanding protein dynamics from crystallographic B-factors , Biophys J. 96, 3074-3081. (2009)
• P. Markwick, S. A. Showalter, G. Bouvignies, R. Brüschweiler, and M. Blackledge, Structural dynamics of protein backbone phi angles: extended molecular dynamics simulations versus experimental 3J scalar couplings , J. Biomol. NMR 45, 17-21 (2009)
• D. A. Snyder and R. Brüschweiler, Multi-dimensional correlation spectroscopy by covariance NMR , Encyclopedia of Magnetic Resonance (editors D. M. Grant and R. K. Harris), Wiley (2009)
• D.W. Li, D. Meng and R. Brüschweiler, Short-Range Coherence of Internal Protein Dynamics Revealed by High-Precision in Silico Study , J. Am. Chem. Soc. 131, 14610-14611 (2009)
• D. Sheppard, D.W. Li, R. Brüschweiler, and V. Tugarinov, Deuterium Spin Probes of Backbone Order in Proteins: H-2 NMR Relaxation Study of Deuterated Carbon alpha-Sites , J. Am. Chem. Soc. 131, 15853-15865 (2009)
• D. A. Snyder and R. Brüschweiler, Generalized indirect covariance NMR formalism for establishment of multidimensional spin correlations , J. Phys. Chem. A 113, 12898-12903 (2009)
• F. Zhang, S. L. Robinette, L. Bruschweiler-Li, and R. Brüschweiler, Web server suite for complex mixture analysis by covariance NMR , Magn. Reson. Chem. 47, S118-S122 (2009)
• Kaplan F, Badri DV, Zachariah C, Ajredini R, Sandoval FJ, Roje S, Levine LH, Zhang F, Robinette SL, Alborn HT, Zhao W, Stadler M, Nimalendran R, Dossey AT, Brüschweiler R, Vivanco JM, Edison AS, Bacterial attraction and quorum sensing inhibition in Caenorhabditis elegans exudates , J Chem Ecol. 35, 878-92. (2009)

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2008

• S. A. Showalter, L. Bruschweiler-Li, E. Johnson, F. Zhang, and R. Brüschweiler, Quantitative Lid Dynamics of MDM2 Reveals Differential Ligand Binding Modes of the p53-Binding Cleft, J. Am. Chem. Soc. 130, 6472-6478 (2008)
• S. L. Robinette, F. Zhang, L. Bruschweiler-Li, and R. Brüschweiler, Web Server Based Complex Mixture Analysis by NMR, Anal. Chem. 80, 3606-3611 (2008).
• N.A. Lakomek, K.F. Walter, C. Farès, O.F. Lange, B.L. de Groot, H. Grubmüller, R. Brüschweiler, A. Munk, S. Becker, J. Meiler, and C. Griesinger, Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics, J Biomol NMR, 41, 139-155 (2008)
• F. Zhang, L. Bruschweiler-Li, S.L. Robinette, and R. Brüschweiler, Self-consistent metabolic mixture analysis by heteronuclear NMR. Application to a human cancer cell line, Anal. Chem. 80, 7549-7553 (2008).
• J.C. Hus, L. Salmon, G. Bouvignies, J. Lotze, M. Blackledge, and R. Brüschweiler, 16-Fold Degeneracy of Peptide Plane Orientations from Residual Dipolar Couplings: Analytical Treatment and Implications for Protein Structure Determination, J. Am. Chem. Soc. 130, 15927-15937 (2008).
• D. A. Snyder, A. Ghosh, F. Zhang, T. Szyperski, and R. Brüschweiler, Z-matrix formalism for quantitative noise assessment of covariance nuclear magnetic resonance spectra, J Chem Phys, 129, 104511-104518 (2008).
• E. Johnson, S.A. Showalter, and R. Brüschweiler, A multifaceted approach to the Interpretation of NMR Order Parameters: A case study of a dynamic alpha-Helix, J. Phys. Chem. B. 112, 6203-6210 (2008).
• E. Johnson, L. Bruschweiler-Li, S. A. Showalter, G. W. Vuister, F. Zhang, and R. Brüschweiler, Structure and dynamics of Ca2+-binding domain 1 of the Na+/Ca2+ exchanger in the presence and in the absence of Ca2+, J. Mol. Biol. 377, 945-55 (2008)
• D. A. Snyder, F. Zhang, S. L. Robinette, L. Bruschweiler-Li, and R. Brüschweiler, Non-negative matrix factorization of two-dimensional NMR spectra: application to complex mixture analysis, J. Chem. Phys. 128, 052313 (2008).
• W. Yang, H. Nymeyer, H.-X. Zhou, B. Berg, and R. Brüschweiler, Quantitative computer simulations of biomolecules: A snapshot, J. of Comp. Chem., 29, 4, 668-672 (2008).

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2007

• D.-W. Li, M. Khanlarzadeh, J. Wang, S. Huo, and R. Brüschweiler, Evaluation of configurational entropy methods from peptide folding-unfolding simulation, J. Phys. Chem. B 111. 13807-13813 (2007).
• F. Zhang, A. T. Dossey, C. Zachariah, A. S. Edison, and R. Brüschweiler, Strategy for automated analysis of dynamic metabolic mixtures by NMR. Application to an insect venom, Anal. Chem. 79, 7748-7752 (2007).
• S. A. Showalter, E. Johnson, M. Rance, and R. Brüschweiler, Toward quantitative interpretation of methyl side-chain dynamics from NMR by molecular dynamics simulations, J. Am. Chem. Soc. 129, 14146-14147 (2007)
• D. A. Snyder, Y. Xu, D. Yang, and R. Brüschweiler, Resolution-enhanced 4D 15N/13C NOESY protein NMR spectroscopy by application of the covariance transform, J. Am. Chem. Soc.129, 14126 – 14127 (2007)
• Y. Chen, F. Zhang, and R. Brüschweiler, Residual water suppression by indirect covariance NMR, Magn. Reson. Chem. 45, 925-928 (2007)
• D. A. Snyder, F. Zhang, and R. Brüschweiler, Covariance NMR in higher dimensions: application to 4D NOESY spectroscopy of proteins, J. Biomol. NMR. 39, 165-175 (2007).
• S. A. Showalter, and R. Brüschweiler, Quantitative molecular ensemble interpretation of NMR dipolar couplings without restraints, J. Am. Chem. Soc., 129, 4158-4159 (2007).
• S. A. Showalter, and R. Brüschweiler, Validation of molecular dynamics simulations of biomolecules using NMR spin relaxation as benchmarks: application to the AMBER99SB force field, J. Chem. Theory Comput., 3, 961-975 (2007).
• Y. Chen, F. Zhang, D. Snyder, Z. Gan, L. Bruschwweiler-Li, and R. Brüschweiler, Quantitative covariance NMR by regularization, J. Biomol. NMR, 38, 73-77 (2007).
• F. Zhang and R. Brüschweiler, Robust deconvolution of complex mixtures by covariance TOCSY spectroscopy, Angewandte Chemie Int. Ed. Engl. 46, 2639-2642 (2007).

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2006

• Y. Chen, F. Zhang, W. Bermel, and R. Brüschweiler, Enhanced covariance spectroscopy from minimal datasets, J. Am. Chem. Soc., 128, 15564-15565 (2006)
• G. Bouvignies, P. Markwick, R. Brüschweiler, M. Blackledge, Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings, J. Am. Chem. Soc. 128, 15100-15101 (2006).
• M.F. Yang, B. Yordanov, Y. Levy, R. Brüschweiler, and S.H. Huo, The sequence-dependent unfolding pathway plays a critical role in the amyloidogenicity of transthyretin, Biochem. 45, 11992-12002 (2006).
• D. Ming and R. Brüschweiler, Reorientational contact-weighted elastic network model for the prediction of protein dynamics: comparison with NMR relaxation, Biophys. J., 90, 3382-3388 (2006)
• J. Wang, R. Brüschweiler, 2D entropy of discrete molecular ensembles, J. Chem. Theory Comput. 2, 18-24 (2006).

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2005

• R. Fu, W. Brey, K. Shetty, P. Gorkov, S. Saha, J. R. Long, S. C. Grant, E. Y. Chekmenev, J. Hu, Z. Gan, M. Sharma, F. Zhang, T. M. Logan, R. Brüschweiler, A. Edison, A. Blue, J. R. Dixon, W. D. Markiewicz, and T. A. Cross, Ultra-wide bore 900 MHz high-resolution NMR at the National High Magnetic Field Laboratory, Journal of Magnetic Resonance, 177, 1-8 (2005).
• F. Zhang, N. Trbovic, and R. Brüschweiler, Double-quantum biased covariance spectroscopy: Application to the 2D INADEQUATE Experiment, J. Magn. Reson. 174, 219-222 (2005).
• G. Bouvignies, P. Bernado, S. Meier, K. Cho, S. Grzesiek, R. Brüschweiler, M. Blackledge, Identification of slow correlated motions in proteins using residual dipolar and hydrogen-bond scalar couplings. Proc. Natl. Acad. Sci. U S A. 102, 13885-13890 (2005).
• M.F. Yang, M. Lei, R. Brüschweiler, S.H. Huo, Initial conformational changes of human transthyretin under partially denaturing conditions, Biophy. J. 89, 433-443 (2005).

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2004

• V. Tugarinov, C. Scheurer, R. Bruschweiler, L. Kay, Estimates of methyl C-13 and H-1 CSA values (Delta sigma) in proteins from cross-correlated spin relaxation, J. Biomol. NMR. 30, 397-406 (2004).
• N. Trbovic, S. Smirnov, F. Zhang, and R. Brüschweiler, Covariance NMR spectroscopy by singular value decomposition. J. Magn. Reson. 171, 277-283 (2004).
• F. Zhang and R. Brüschweiler, Indirect covariance NMR spectroscopy. J. Am. Chem. Soc. 126, 13180-13181 (2004).
• R. Brüschweiler, Theory of covariance NMR spectroscopy. J. Chem. Phys. 121, 409-414 (2004).
• D. Ming and R. Brüschweiler, Prediction of methyl-side chain dynamics in proteins. J. Biomol. NMR 29, 363-368 (2004)
• F. Zhang and R. Brüschweiler, Spectral deconvolution by covariance NMR spectroscopy. ChemPhysChem 5, 794-796 (2004).
• R. Brüschweiler and F. Zhang, Covariance nuclear magnetic resonance spectroscopy. J. Chem. Phys. 120, 5253-5260 (2004).

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2003

• J.-C. Hus, W. Peti, C. Griesinger, and R. Brüschweiler, Self-consistency analysis of dipolar couplings in multiple alignments of ubiquitin. J. Am. Chem. Soc. 125, 5596-5597 (2003).
• R. Brüschweiler, New approaches for the dynamic interpretation and prediction of NMR relaxation data from proteins. Curr. Opin. Struct. Biology 13, 175-183 (2003).
• C. Jin, J. J. Prompers, and R. Brüschweiler, Cross-correlation suppressed T1 and NOE experiments for protein side-chain 13CH2 groups. J. Biomol. NMR 26, 241-247 (2003).
• R. Brüschweiler, Efficient RMSD measures for the comparison of two molecular ensembles. Proteins: Struct. Funct. Genet. 50, 26-34 (2003).

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2002

• F. Zhang and R. Brüschweiler, Contact model for the prediction of NMR N-H order parameters in globular proteins. J. Am. Chem. Soc. 124, 12654-12655 (2002).
• J.-C. Hus and R. Brüschweiler, Principal component method for assessing structural heterogeneity across multiple alignment media. J. Biomol. NMR. 24, 123-132 (2002).
• J.-C. Hus, J. J. Prompers, and R. Brüschweiler, Assignment strategy of proteins with known structure. J. Magn. Reson. 157, 119-123 (2002).
• J.-C. Hus and R. Brüschweiler, Reconstruction of interatomic vectors by principle component analysis of NMR data in multiple alignments. J. Chem. Phys. 117, 1166-1172 (2002).
• W. Peti, J. Meiler, R. Brüschweiler, and C. Griesinger, Model-free analysis of protein backbone motion from residual dipolar couplings. J. Am. Chem. Soc. 24, 5822-5833 (2002).
• J. J. Prompers and R. Brüschweiler, General framework for studying the dynamics of folded and nonfolded proteins by NMR relaxation spectroscopy and MD simulation. J. Am. Chem. Soc. 124, 4522-4534 (2002).
• J. J. Prompers and R. Brüschweiler, Dynamic and structural analysis of isotropically distributed molecular ensembles. Proteins: Struct. Funct. Genet. 46, 177-189 (2002).

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2001

• J. Czernek and R. Brüschweiler, Geometric dependence of 3hJ(31P – 15N) and 2hJ(31P – 1H) scalar couplings in protein-nucleotide complexes. J. Am. Chem. Soc. 123, 11079-11080 (2001)
• J. J. Prompers and R. Brüschweiler, Reorientational eigenmode dynamics: A combined MD/NMR relaxation analysis method for flexible parts in globular proteins. J. Am. Chem. Soc. 123, 7305-7313 (2001)
• R. Brüschweiler, Structural dynamics of proteins studied by NMR: Basic principles in Spectroscopic Techniques in Biophysics (Eds. G. M. Giacometti and G. Giacometti), IOS Press (2001).
• J. Meiler, J. J. Prompers, W. Peti, C. Griesinger, and R. Brüschweiler, Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins. J. Am. Chem. Soc. 123, 6098-6107 (2001).
• J. J. Prompers, C. Scheurer, and R. Brüschweiler, Characterization of NMR-relaxation active motions of a partially folded A-state Analogue of ubiquitin J. Mol. Biol. 305, 1085-1097 (2001).
• J. J. Prompers, S. F. Lienin, and R. Brüschweiler, Collective reorientational motion and nuclear spin relaxation in proteins, In Biocomputing: Proceedings of the 2001 Pacific Symposium; Altman, R. B., Dunker, A. K., Hunter, L., Lauderdale, K., Klein, T. E., Eds.; World Scientific: Singapore; 79-88 (2001).

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2000

• R. Brüschweiler, Novel strategy for database searching in spin Liouville space by NMR ensemble computing. Phys. Rev. Lett. 85, 4815-4818 (2000).
• J. J. Prompers and R. Brüschweiler, Thermodynamic interpretation of NMR relaxation parameters in proteins in the presence of motional correlations. J. Phys. Chem. B 104, 11416-11424 (2000).
• D. A. Case, C. Scheurer, and R. Brüschweiler, Static and dynamic effects on vicinal scalar J couplings in proteins and peptides: A MD/DFT analysis. J. Am. Chem. Soc. 122, 10390-10397 (2000).
• S. F. Lienin and R. Brüschweiler, Characterization of collective and anisotropic reorientational protein dynamics. Phys. Rev. Lett. 84, 5439-5442 (2000).
• M. Woodward and R. Brüschweiler, Solution of the Deutsch-Josza Problem by NMR Ensemble Computing without Sensitivity Scaling, LANL e-print quant-ph/0006024 (2000).

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1999

• C. Scheurer and R. Brüschweiler, Quantum-chemical characterization of nuclear spin-spin couplings across hydrogen bonds. J. Am. Chem. Soc. 121, 8661-8662 (1999).
• C. Scheurer, N. R. Skrynnikov, S. F. Lienin, S. K. Straus, R. Brüschweiler, and R. R. Ernst, Effects of dynamics and environment on 15N chemical shielding anisotropy in proteins. A combination of density functional theory, molecular dynamics simulation, and NMR relaxation. J. Am. Chem. Soc. 121, 4242-4251 (1999).

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1998

• Z. L. Mádi, R. Brüschweiler, and R. R. Ernst, One- and two-dimensional ensemble quantum computing in spin Liouville space. J. Chem. Phys. 109, 10603-10611 (1998).
• S. F. Lienin, T. Bremi, B. Brutscher, R. Brüschweiler, and R. R. Ernst, Anisotropic intramolecular backbone dynamics of ubiquitin characterized by NMR relaxation and MD computer simulation. J. Am. Chem. Soc. 120, 9870-9879 (1998).
• E. B. Fel’dman, R. Brüschweiler, and R. R. Ernst, From regular to erratic quantum dynamics in long spin 1/2 chain with an XY Hamiltonian. Chem. Phys. Lett. 294, 297-304 (1998).
• N. R. Skrynnikov, S. F. Lienin, R. Brüschweiler, and R. R. Ernst, Efficient scalar spin relaxation in the rotating for matched radio-frequency fields. J. Chem. Phys. 108, 7662-7669 (1998).
• S. F. Lienin, R. Brüschweiler, and R. R. Ernst, Rotational motion of a solute molecule in a highly viscous liquid studied by 13C NMR: 1,3-dibromoadamantane in polymeric chlorotrifluoroethene. J. Magn. Reson. 131, 184-190 (1998).
• R. Brüschweiler, Dipolar averaging in NMR spectroscopy: From polarization transfer to cross relaxation. Prog. NMR Spectrosc. 32, 1-19 (1998).
• R. Brutscher, T. Bremi, N. R. Skrynnikov, R. Brüschweiler, and R. R. Ernst, Quantitative investigation of dipole-CSA cross-correlated relaxation by ZQ/DQ Spectroscopy. J. Magn. Reson. 130, 346-351 (1998).
• R. Brüschweiler, Nuclear spin dynamics and molecular motion, Habilitationsschrift, Department of Chemistry at ETH Zürich (1998).

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1997

• B. Brutscher, R. Brüschweiler, and R. R. Ernst, Backbone dynamics and structural characterization of the partially folded A state of ubiquitin by 1H, 13C, and 15N NMR. Biochemistry 36, 13043-13053 (1997)
• N. R. Skrynnikov and R. Brüschweiler, Comment on nuclear spin relaxation and non-ergodic quasi-equilibria. Chem. Phys. Lett. 281, 239-242 (1997).
• T. Bremi and R. Brüschweiler, Locally anisotropic internal polypeptide backbone dynamics by NMR relaxation. J. Am. Chem. Soc. 119, 6672-6673 (1997).
• T. Bremi, R. Brüschweiler, and R. R. Ernst, A protocol for the interpretation of side-chain dynamics based on NMR relaxation: Application to phenylalanines of antamanide. J. Am. Chem. Soc. 119, 4272-4284 (1997).
• R. Brüschweiler, Nuclear spin relaxation and non-ergodic quasi-equilibria. Chem. Phys. Lett. 270, 217-221 (1997)
• R. Brüschweiler, Dynamics of biomolecules studied by NMR relaxation spectroscopy. Chimia 51, 140-144 (1997).
• Z. Mádi, B. Brutscher, T. Schulte-Herbrüggen, R. Brüschweiler, and R. R. Ernst, Time-resolved observation of spin waves in a linear chain of nuclear spins. Chem. Phys. Lett. 268, 300-305 (1997).
• R. Brüschweiler and R. R. Ernst, Non-ergodic quasi-equilibria in short linear spin chains. Chem. Phys. Lett. 264, 393-397 (1997).

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1996

• R. Brüschweiler, Three-spin-interaction in liquid-state NMR. J. Chem. Phys. 105, 6164-6167 (1996).
• R. Brüschweiler, Cross-correlation induced J coupling. Chem. Phys. Lett. 257, 119-122 (1996).
• R. R. Ernst, M. J. Blackledge, T. Bremi, R. Brüschweiler, M. Ernst, C. Griesinger, Z. L. Mádi, J. W. Peng, J. M. Schmidt, and P. Xu, Intramolecular dynamics of biomolecules, possibilities and limitations in NMR as a structural tool for macromolecules: current status and future directions, Eds. B. D. N. Rao and M. D. Kemple, Plenum Press, New York, 1996

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1995

• R. Brüschweiler, X. Liao, and P. E. Wright, Long-range motional restrictions in a multidomain zinc-finger protein from anisotropic tumbling. Science 268, 886-889 (1995).
• R. Brüschweiler, D. Morikis, and P. E. Wright, Hydration of the partially folded peptide RN-24 studied by multidimensional NMR. J. Biomol. NMR 5, 353-356 (1995).
• R. Brüschweiler, Collective protein dynamics and nuclear spin relaxation. J. Chem. Phys. 102, 3396-3403 (1995).

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1994

• J. Yao, R. Brüschweiler, H. J. Dyson, and P. E. Wright, Differential side chain hydration in a linear peptide containing a type VI turn. J. Am. Chem. Soc. 116, 12051-12052 (1994).
• R. Brüschweiler and D. A. Case, Adding harmonic motion to the Karplus equation for spin-spin coupling. J. Am. Chem. Soc. 116, 11199-11200 (1994).
• R. Brüschweiler and P. E. Wright, NMR order parameters of biomolecules – A new analytical representation and application to the Gaussian axial fluctuation model. J. Am. Chem. Soc. 116, 8426-8427 (1994).
• R. Brüschweiler and P. E. Wright, Water self-diffusion model for protein-water NMR cross relaxation. Chem. Phys. Lett. 229, 75-81 (1994).
• R. Brüschweiler and D. A. Case, Characterization of biomolecular structure and dynamics by NMR cross relaxation. Prog. NMR Spectrosc. 26, 27-58 (1994).
• R. Brüschweiler and D. A. Case, A collective NMR relaxation model applied to protein dynamics. Phys. Rev. Lett. 72, 940-943 (1994).
• R. Brüschweiler, Connections between NMR measurements and theoretical models of structural dynamics in solution in NMR probes of molecular dynamics, Ed. R. Tycko, Kluwer (1994).

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1993

• G. S. Merutka, D. Morikis, R. Brüschweiler, and P. E. Wright, Direct NMR evidence for multiple conformations in a highly helical model peptide. Biochemistry 32, 13089-13097 (1993).
• M. Akke, R. Brüschweiler, and A. G. Palmer, NMR order parameters and free energy: An analytical approach and its application to Calbindin D9k. J. Am. Chem. Soc. 115, 9832-9833 (1993).
• M. J. Blackledge, R. Brüschweiler, C. Griesinger, J. M. Schmidt, P. Xu, and R. R. Ernst, Conformational backbone dynamics of the cyclic decapeptide antamanide. Application of a new multiconformational search algorithm based on NMR data. Biochemistry 32, 10960-10974 (1993).
• J. M. Schmidt, R. Brüschweiler, R. R. Ernst, R. L. Dunbrack, D. Joseph, and M. Karplus, Molecular dynamics simulation of the proline conformational equilibrium and dynamics in antamanide using the CHARMM force field. J. Am. Chem. Soc. 115, 8747-8756 (1993).
• D. Morikis, R. Brüschweiler, and P. E. Wright, Determination of local ligand conformations in slowly tumbling proteins: Application to heme propionates in leghemoglobin. J. Am. Chem. Soc. 115, 6238-6246 (1993).
• R. M. Brunne, W. F. van Gunsteren, R. Brüschweiler, and R. R. Ernst, Molecular dynamics simulation of the proline conformational equilibrium and dynamics in antamanide using the GROMOS force field. J. Am. Chem. Soc. 115, 4764-4768 (1993).

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1992

• R. Brüschweiler, Normal modes and NMR order parameters in proteins. J. Am. Chem. Soc. 114, 5341-5344 (1992).
• R. Brüschweiler and R. R. Ernst, Molecular dynamics monitored by cross-correlated cross relaxation of spins quantized along orthogonal axes. J. Chem. Phys. 96, 1758-1766 (1992).
• R. Brüschweiler, B. Roux, M. Blackledge, C. Griesinger, M. Karplus, and R. R. Ernst, Influence of rapid intramolecular motion on NMR cross-relaxation rates. A molecular dynamics study of antamanide in solution. J. Am. Chem. Soc. 114, 2289-2302 (1992)

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1991 and earlier

• R. Brüschweiler, Structural dynamics of biomolecules monitored by nuclear magnetic resonance relaxation, Ph.D. thesis, ETH, No. 9466 (1991).
• R. R. Ernst, M. Blackledge, S. Boentges, J. Briand, R. Brüschweiler, M. Ernst, C. Griesinger, Z. L. Mádi, and O.W. Sørensen, in Proteins, Structure, Dynamics, Design (Eds.: V. Renugopalakrishnan, P.R. Carey, I.C.P. Smith, S.G. Huang, A.C. Storer), ESCOM, Leiden (1991).
• R. Brüschweiler, M. Blackledge, and R. R. Ernst, Multi-conformational peptide dynamics derived from NMR data: A new search algorithm and its application to antamanide. J. Biomol. NMR 1, 3-11 (1991).
• B. Roux, R. Brüschweiler, and R. R. Ernst, The structure of gramicidin A in dimethylsulfoxide/acetone. Eur. J. Biochem. 194, 57-60 (1990).
• C. Griesinger, R. Brüschweiler, Z. L. Mádi, O. W. Sørensen, and R. R. Ernst, Recent achievements in multidimensional NMR. Macromol. Chem., Macromol. Symp. 34, 17 (1990).
• R. Brüschweiler, C. Griesinger, and R. R. Ernst, Correlated motion monitored by NMR relaxation in the rotating frame. A source of structural and dynamic information of macromolecules. J. Am. Chem. Soc. 111, 8034-8035 (1989)
• R. Brüschweiler, C. Griesinger, O. W. Sørensen, and R. R. Ernst, Combined use of hard and soft pulses for ω1 decoupling in two-dimensional NMR spectroscopy. J. Magn. Reson. 78, 178-185 (1988).
• R. Brüschweiler, J. C. Madsen, C. Griesinger, O. W. Sørensen, and R. R. Ernst, Two-dimensional NMR spectroscopy with soft pulses. J. Magn. Reson. 73, 380-385 (1987).
• R. Kind, O. Liechti, R. Brüschweiler, J. Dolinsek, and R. R. Blinc, 87Rb NMR study of the paraelectric-antiferroelectric phase transition in Rb0.22(ND4)0.78D2PO4. Phys. Rev. B 36, 13-19 (1987).