title: 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.
authors.affiliation: Abbott Laboratories, Global Pharmaceutical Research Division, 100 Abbott Park Road, Abbott Park, IL 60048, USA. steve.w.muchmore@abbott.com
authors.forename: Steven W
authors.initials: SW
authors.lastname: Muchmore
authors.forename: Philip J
authors.initials: PJ
authors.lastname: Hajduk
mesh_terms: D000818:Animals; D003198:Computer Simulation; D003461:Crystallography; D018360:Crystallography, X-Ray; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D006801:Humans; D009682:Magnetic Resonance Spectroscopy; D010446:Peptide Fragments / Q000737:chemistry
chemical_list: D010446:Peptide Fragments