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- W1480604672 abstract "Only about 350 olfactory receptors (OR) provide a basis for the remarkable ability of humans to recognise and discriminate a large number of odorants. A recent study reports the odorant repertoire of a human class II OR called OR1G1, including both agonists and antagonists. We used these affinity data to perform a 3D molecular modelling study of these ligands using Catalyst/HypoGen software (Catalyst v4.9.1, Accelrys Inc., San Diego, 2004) to propose alignment models for OR1G1 ligands. We obtained a triple-alignment model, which satisfactorily explained the experimental activities and was able both to predict the antagonist effects of some compounds and to identify new potent agonists which were validated by direct experiments." @default.
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- W1480604672 date "2006-01-01" @default.
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- W1480604672 title "3D-QSAR study of ligands for a human olfactory receptor" @default.
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- W1480604672 doi "https://doi.org/10.1016/s0167-4501(06)80004-x" @default.
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