Automation of biomolecular NMR screening

被引:8
|
作者
Ross, A [1 ]
Senn, H [1 ]
机构
[1] Hoffmann La Roche AG, Dept Biostruct Res, PRBT, CH-4070 Basel, Switzerland
关键词
NMR; ligand; protein; screening; automation; PCA;
D O I
10.2174/1568026033392688
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
For NMR based screening we review equipment needed for automated preparation of samples and acquisition of a large number of data sets. Hardware connecting lab-bench and NMR spectrometer is described. We focus on software used for automated calculation of the similarity between spectra - a prerequisite for the identification of test compounds interacting with a target-molecule.
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页码:55 / 67
页数:13
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