ONIOM and FMO-EDA study of metabotropic glutamate receptor 1: Quantum insights into the allosteric binding site
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DOI: 10.1002/qua.25617
Abstract: The crystal structure of metabotropic glutamate receptor 1 (mGluR1) complexed with 4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)thiazol-2-yl)-N-methylbenzamide (FITM, a negative allosteric modulator) and its twelve close structural analogs with a broad spectrum of affinities (2.4 nM 10 000 nM) were investigated… read more here.
Keywords: oniom fmo; fmo eda; metabotropic glutamate; glutamate receptor ... See more keywords