ACS Central Science · 2022 · 59 citations · 35 references
PharmacyBioinformaticsMolecular BiologyDrug DiscoveryStructural BioinformaticsStructure-activity RelationshipsG Protein-coupled Receptor SignalingLigand BindingReceptor BindingReceptor ModelingReceptor PharmacologyReceptor-ligand InteractionsFunctional AssaysG Protein-coupled Receptor ModelingG Protein-coupled Receptor Structure-function RelationshipsLigand SelectivityOdor Receptor FunctionOlfactory Receptor FunctionReceptor-ligand SelectivityReceptors
functional assays of 111 ORs and 7 odorants of distinct scaffolds. Sixty-four new OR-odorant pairs were discovered, and 25 ORs were deorphanized here. The best model demonstrated a 56% deorphanization rate. The PCM-RF approach will accelerate OR-odorant mapping and OR deorphanization.
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Comparative Protein Structure Modeling Using Modeller
Narayanan Eswar, Ben Webb, Marc A. Martı́-Renom et al. · Current Protocols in Bioinformatics · 2006 · 4.6K citations · Full text