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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
2010
Weight
25 KB
Volume
33
Category
Article
ISSN
0931-7597

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Ligand and structure-based models for th
Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the Ξ²2-adrenergic receptor
✍ 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