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Locating ligand binding sites in G-protein coupled receptors using combined information from docking and sequence conservation
[article]
2018
bioRxiv
pre-print
G-protein coupled receptors (GPCRs) are the largest protein family of drug targets. Detailed mechanisms of binding are unknown for many important GPCR-ligand pairs due to the difficulties of GPCR recombinant expression, biochemistry, and crystallography. We describe our new method, ConDock, for predicting ligand binding sites in GPCRs using combined information from surface conservation and docking starting from crystal structures or homology models. We demonstrate the effectiveness of ConDock
doi:10.1101/461681
fatcat:opgwouw5j5ghnerbkcjldrzruy