Abstract
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.
MeSH terms
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Drug Design
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Drug Evaluation, Preclinical / methods*
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Humans
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Ligands
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Nuclear Magnetic Resonance, Biomolecular / instrumentation*
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Nuclear Magnetic Resonance, Biomolecular / methods
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Pharmaceutical Preparations / chemistry
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Pharmaceutical Preparations / metabolism
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Principal Component Analysis
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Protein Binding
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Proteins / chemistry
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Proteins / metabolism
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Software
Substances
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Ligands
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Pharmaceutical Preparations
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Proteins