Crystallography, NMR and virtual screening: integrated tools for drug discovery.

ABSTRACT

Crystallography, nuclear magnetic resonance and virtual ligand screening have become common tools in structural approaches to drug discovery. Appropriately used, these techniques are highly complementary and synergistic, significantly enhancing the pace of the discovery process and the quality of compounds selected for further development. The integration of these discovery tools will be discussed, and examples in which the combination of these technologies has impacted on the drug discovery cycle will be highlighted.