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). [read online]
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). [read online]
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). [read online] [supporting information]
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). [read online] [supporting information]
Y. Chen, F. Zhang, and R. Brüschweiler, Residual water suppression by indirect covariance NMR, Magn. Reson. Chem. 45, 925-928 (2007). [read online]
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). [read online]
W. Yang, H. Nymeyer, H.-X. Zhou, B. Berg, and R. Brüschweiler, Quantitative computer simulations of biomolecules: A snapshot, J. Comput. Chem., Aug. 20, 2007 [Epub ahead of print]. [read online]
S. A. Showalter, and R. Brüschweiler, Quantitative molecular ensemble interpretation of NMR dipolar couplings without restraints, J. Am. Chem. Soc., 129, 4158-4159 (2007). [read online] [supporting information]
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). [read online] [supporting information]
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). [read online]
Y. Chen, F. Zhang, W. Bermel, and R. Brüschweiler, Enhanced covariance spectroscopy from minimal datasets, J. Am. Chem. Soc., 128, 15564-15565 (2006). [read online] [supporting information]
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). [read online]
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). [read online]
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) [read online]
J. Wang, R. Brüschweiler, 2D entropy of discrete molecular ensembles, J. Chem. Theory Comput. 2, 18-24 (2006). [read online]
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). [read online]
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). [read online]
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). [read online] [supporting information]
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). [read online]
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). [read online]
N. Trbovic, S. Smirnov, F. Zhang, and R. Brüschweiler, Covariance NMR spectroscopy by singular value decomposition. J. Magn. Reson. 171, 277-283 (2004). [read online]
F. Zhang and R. Brüschweiler, Indirect covariance NMR spectroscopy. J. Am. Chem. Soc. 126, 13180-13181 (2004). [read online]
R. Brüschweiler, Theory of covariance NMR spectroscopy. J. Chem. Phys. 121, 409-414 (2004). [read online]
D. Ming and R. Brüschweiler, Prediction of methyl-side chain dynamics in proteins. J. Biomol. NMR 29, 363-368 (2004). [read online]
F. Zhang and R. Brüschweiler, Spectral deconvolution by covariance NMR spectroscopy. ChemPhysChem 5, 794-796 (2004). [read online]
R. Brüschweiler and F. Zhang, Covariance nuclear magnetic resonance spectroscopy. J. Chem. Phys. 120, 5253-5260 (2004). [read online]
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). [read online]
R. Brüschweiler, New approaches for the dynamic interpretation and prediction of NMR relaxation data from proteins. Curr. Opin. Struct. Biology 13, 175-183 (2003). [read online]
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). [read online]
R. Brüschweiler, Efficient RMSD measures for the comparison of two molecular ensembles. Proteins: Struct. Funct. Genet. 50, 26-34 (2003). [read online]
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). [read online]
J.-C. Hus and R. Brüschweiler, Principal component method for assessing structural heterogeneity across multiple alignment media. J. Biomol. NMR. 24, 123-132 (2002). [read online]
J.-C. Hus, J. J. Prompers, and R. Brüschweiler, Assignment strategy of proteins with known structure. J. Magn. Reson. 157, 119-123 (2002). [read online]
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). [read online]
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). [read online]
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). [read online]
J. J. Prompers and R. Brüschweiler, Dynamic and structural analysis of isotropically distributed molecular ensembles. Proteins: Struct. Funct. Genet. 46, 177-189 (2002). [read online]
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). [read online]
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). [read online]
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). [read online]
J. J. Prompers, C. Scheurer, and R. Brüschweiler, NMR-relaxation active motions of a partially folded A-state Analogue of ubiquitin characterized by reorientational quasiharmonic analysis. J. Mol. Biol. 305, 1085-1097 (2001). [read online]
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). [read online]
R. Brüschweiler, Novel strategy for database searching in spin Liouville space by NMR ensemble computing. Phys. Rev. Lett. 85, 4815-4818 (2000). [read online]
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). [read online]
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). [read online]
S. F. Lienin and R. Brüschweiler, Characterization of collective and anisotropic reorientational protein dynamics. Phys. Rev. Lett. 84, 5439-5442 (2000). [read online]
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). [read online]
C. Scheurer and R. Brüschweiler, Quantum-chemical characterization of nuclear spin-spin couplings across hydrogen bonds. J. Am. Chem. Soc. 121, 8661-8662 (1999). [read online] [supporting information]
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). [read online] [supporting information]
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). [read online]
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). [read online]
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). [read online]
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). [read online]
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). [read online]
R. Brüschweiler, Dipolar averaging in NMR spectroscopy: From polarization transfer to cross relaxation. Prog. NMR Spectrosc. 32, 1-19 (1998). [read online]
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). [read online]
R. Brüschweiler, Nuclear spin dynamics and molecular motion, Habilitationsschrift, Department of Chemistry at ETH Zürich (1998).
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). [read online] [supporting information]
N. R. Skrynnikov and R. Brüschweiler, Comment on nuclear spin relaxation and non-ergodic quasi-equilibria. Chem. Phys. Lett. 281, 239-242 (1997). [read online]
T. Bremi and R. Brüschweiler, Locally anisotropic internal polypeptide backbone dynamics by NMR relaxation. J. Am. Chem. Soc. 119, 6672-6673 (1997). [read online]
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). [read online]
R. Brüschweiler, Nuclear spin relaxation and non-ergodic quasi-equilibria. Chem. Phys. Lett. 270, 217-221 (1997); [read online]
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). [read online]
R. Brüschweiler and R. R. Ernst, Non-ergodic quasi-equilibria in short linear spin chains. Chem. Phys. Lett. 264, 393-397 (1997). [read online]
R. Brüschweiler, Three-spin-interaction in liquid-state NMR. J. Chem. Phys. 105, 6164-6167 (1996). [read online]
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.
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). [read online]
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). [read online]
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). [read online]
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). [read online]
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). [read online]
R. Brüschweiler and P. E. Wright, Water self-diffusion model for protein-water NMR cross relaxation. Chem. Phys. Lett. 229, 75-81 (1994). [read online]
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). [read online]
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).
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). [read online]
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). [read online]
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). [read online]
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). [read online]
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). [read online]
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). [read online]
R. Brüschweiler, Normal modes and NMR order parameters in proteins. J. Am. Chem. Soc. 114, 5341-5344 (1992). [read online]
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). [read online]
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). [read online]
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). [read online]
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). [read online]