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Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors

✍ Scribed by Holger Gohlke; Gerhard Klebe


Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
695 KB
Volume
41
Category
Article
ISSN
0044-8249

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✍ Santiago Vilar; Joel Karpiak; Stefano Costanzi πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 851 KB

## Abstract In this study, we evaluated the applicability of ligand‐based and structure‐based models to quantitative affinity predictions and virtual screenings for ligands of the Ξ²~2~‐adrenergic receptor, a G protein‐coupled receptor (GPCR). We also devised and evaluated a number of consensus mode