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  • Title: NMR and in silico screening.
    Author: Rüdisser S, Jahnke W.
    Journal: Comb Chem High Throughput Screen; 2002 Dec; 5(8):591-603. PubMed ID: 12470256.
    Abstract:
    NMR-based screening and virtual, or in silico, screening can be highly complementary and synergistic. NMR-based screening is a rapid and reliable method for validating hits that come from in silico screens. In addition, ligand-binding data derived from NMR-based screens can focus and direct subsequent in silico screening. We will first give a short overview of existing NMR and in silico screening methods, discuss the drawbacks associated with each, and finally present applications that highlight the combination of the two technologies.
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