Computational methods for determining protein structures from NMR data.

G P Gippert; P F Yip; P E Wright; D A Case

doi:10.1016/0006-2952(90)90172-h

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Computational methods for determining protein structures from NMR data.

G P Gippert·P F Yip·P E Wright·D A Case

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Abstract

The general procedures by which solution structures of proteins may be deduced from distance and angular constraints derived from NMR are reviewed, with an emphasis on practical aspects of the calculations. In addition, novel methods based on chemical shift calculations and on quantitative fits to nuclear Overhauser effect intensities are presented; these should provide improved understanding of the limits of our ability to simulate complex spectra, and may permit higher precision structures to be determined.

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Macromolecular Substances Magnetic Resonance Spectroscopy Mathematics Models, Molecular Proteins Journal Article Research Support, U.S. Gov't, P.H.S.Review

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G P Gippert, P F Yip, P E Wright, D A Case. 1990-07-01. Computational methods for determining protein structures from NMR data.. https://doi.org/10.1016/0006-2952(90)90172-h

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