Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning
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DOI: 10.1021/acs.jcim.2c00851
Abstract: The mechanism of transcriptional activation/repression of the nuclear receptors (NRs) involves two main conformations of the NR protein, namely, the active (agonistic) and inactive (antagonistic) conformations. Binding of agonists or antagonists to the ligand-binding pocket… read more here.
Keywords: nuclear receptors; ligand binding; machine learning; category ligands ... See more keywords