Alfred Ross and Hans Senn Pages 55 - 67 ( 13 )
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.
ligand, protein, screening, automation, pca
Hoffmann LaRoche AG, Department for Biostructural Research (PRBT), Grenzacher Str., CH- 4070 Basel, Switzerland