Articles with "docking scheme" as a keyword



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Prediction of N-Methyl-D-Aspartate Receptor GluN1-Ligand Binding Affinity by a Novel SVM-Pose/SVM-Score Combinatorial Ensemble Docking Scheme

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Published in 2017 at "Scientific Reports"

DOI: 10.1038/srep40053

Abstract: The glycine-binding site of the N-methyl-D-aspartate receptor (NMDAR) subunit GluN1 is a potential pharmacological target for neurodegenerative disorders. A novel combinatorial ensemble docking scheme using ligand and protein conformation ensembles and customized support vector machine… read more here.

Keywords: svm; docking scheme; ensemble docking; scheme ... See more keywords