Mutation-Guided Unbiased Modeling of the Fat Sensor GPR119 for High-Yield Agonist Screening

Recent benchmark studies have demonstrated the difficulties in obtaining accurate predictions of ligand binding conformations to comparative models of G-protein-coupled receptors. We have developed a data-driven optimization protocol, which integrates mutational data and structural information from...

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Veröffentlicht in:	Structure (London) 2015-12, Vol.23 (12), p.2377-2386
Hauptverfasser:	Norn, Christoffer, Hauge, Maria, Engelstoft, Maja S., Kim, Sun Hee, Lehmann, Juerg, Jones, Robert M., Schwartz, Thue W., Frimurer, Thomas M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Amino Acid Sequence Drug Discovery - methods High-Throughput Screening Assays - methods Humans Molecular Docking Simulation Molecular Sequence Data Mutation Oxadiazoles - pharmacology Protein Binding Pyrimidines - pharmacology Receptors, G-Protein-Coupled - agonists Receptors, G-Protein-Coupled - chemistry Receptors, G-Protein-Coupled - genetics
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