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Here, we surveyed bioinformatics software tools for predicting GPCR–ligand complex structures. G-protein-coupled receptors (GPCRs) play important physiological roles related to signal transduction and form a major group of drug targets. Prediction of GPCR-ligand complex structures has therefore important implications to drug discovery.
(Lee and Seok 2016) Galaxy7TM: flexible GPCR-ligand docking by structure refinement. Nucleic Acids Res.