Journal ArticleDOI
Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 2. Analysis of experimental results
Giovanni Lipari,Attila Szabo +1 more
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This article is published in Journal of the American Chemical Society.The article was published on 1982-08-01. It has received 1740 citations till now. The article focuses on the topics: Spin–lattice relaxation & Spin echo.read more
Citations
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Gadolinium(III) Chelates as MRI Contrast Agents: Structure, Dynamics, and Applications
TL;DR: A. Relaxivity 2331 E. Outerand Second-Sphere relaxivity 2334 F. Methods of Improving Relaxivity 2336 V. Macromolecular Conjugates 2336.
Journal ArticleDOI
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
TL;DR: The results show how the changes in the internal parameters associated with the peptide backbone via CMAP and the χ1 and χ2 dihedral parameters leads to improved treatment of the analyzed nonbond interactions.
Journal ArticleDOI
Backbone Dynamics of a Free and a Phosphopeptide-Complexed Src Homology 2 Domain Studied by 15N NMR Relaxation
Neil A. Farrow,Ranjith Muhandiram,Alex U. Singer,Steven M. Pascal,Cyril M. Kay,Gerry Gish,Steven E. Shoelson,Tony Pawson,Julie D. Forman-Kay,Lewis E. Kay +9 more
TL;DR: Overall, higher order parameters were not found in the peptide-bound form, indicating that on average, picosecond-time-scale disorder is not reduced upon binding peptide, and the relaxation data of the SH2-phosphopeptide complex were fit with fewer exchange terms than the uncomplexed form.
Journal ArticleDOI
Backbone dynamics of proteins as studied by 15N inverse detected heteronuclear NMR spectroscopy: application to staphylococcal nuclease.
TL;DR: The use of novel two-dimensional nuclear magnetic resonance (NMR) pulse sequences to provide insight into protein dynamics is described, suggesting that there is no correlation between these rapid small amplitude motions and secondary structure for S. Nase.
References
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Journal ArticleDOI
Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity
Giovanni Lipari,Attila Szabo +1 more
TL;DR: In this article, a model-free approach to the interpretation of nuclear magnetic resonance relaxation experiments on macromolecules in solution is presented, which uses the above spectral density to least-squares fit relaxation data by treating S/sup 2 and T/sub e/ as adjustable parameters.
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Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity
Giovanni Lipari,Attila Szabo +1 more