NMR and in silico screening
Related Experiment Video
Updated: Feb 11, 2026

In Silico Clinical Trials for Cardiovascular Disease
Published on: May 27, 2022
Simon Rüdisser1, Wolfgang Jahnke
1Novartis Pharma AG, 4002, Switzerland. Simon.Ruedisser@pharma.novartis.com
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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