How Significant Are Unusual Protein-Ligand Interactions? Insights from Database Mining.
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DOI: 10.1021/acs.jmedchem.9b01545
Abstract: We present a new approach to derive interaction propensities of protein-ligand atom pairs from mining of the Protein Data Bank. To ensure solid statistics, we use a line-of-sight contact filter and normalize the observed frequency… read more here.
Keywords: protein; interactions insights; ligand interactions; significant unusual ... See more keywords