Article
Mutation-Guided Unbiased Modeling of the Fat Sensor GPR119 for High-Yield Agonist Screening.
Structure (London, England : 1993) - 1 Dec 2015
Norn Christoffer, Hauge Maria, Engelstoft Maja S, Kim Sun Hee, Lehmann Juerg, Jones Robert M, Schwartz Thue W, Frimurer Thomas M
Abstract excerpt
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 multiple X-ray receptor structures in combination with a fully flexible ligand docking protocol to determine the...
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