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NMR and In silico Screening

[ Vol. 5 , Issue. 8 ]

Author(s):

Simon Rudisser and Wolfgang Jahnke   Pages 591 - 603 ( 13 )

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.

, NMR, and, In, silico, Screening

Affiliation:

Novartis Pharma AG, 4002 Basel, Switzerland.



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