NMR and In silico Screening

Title: NMR and In silico Screening

Volume: 5 Issue: 8

Author(s): Simon Rudisser and Wolfgang Jahnke

Affiliation:

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.

Cite this article as:

Simon Rudisser and Wolfgang Jahnke , NMR and In silico Screening, Combinatorial Chemistry & High Throughput Screening 2002; 5 (8) . https://dx.doi.org/10.2174/1386207023329987

DOI https://dx.doi.org/10.2174/1386207023329987	Print ISSN 1386-2073
Publisher Name Bentham Science Publisher	Online ISSN 1875-5402