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ORB, a homology-based program for the prediction of protein NMR chemical shifts

✍ Scribed by Wolfram Gronwald; Robert F. Boyko; Frank D. Sönnichsen; David S. Wishart; Brian D. Sykes

Book ID
110369836
Publisher
Springer Netherlands
Year
1997
Tongue
English
Weight
304 KB
Volume
10
Category
Article
ISSN
0925-2738

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A computer program has been developed for predicting 'H NMR chemical shifts. It automatically finds the various substructures of a given molecule for which additivity rules are available. Several strategies have been used to widen the range of applicability. With ,200 test compounds, over 90% of the