ColdstartCPI: Induced-fit theory-guided DTI predictive model with improved generalization performance
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DOI: 10.1038/s41467-025-61745-7
Abstract: Predicting compound-protein interactions (CPIs) plays a crucial role in drug discovery. Traditional methods, based on the key-lock theory and rigid docking, often fail with novel compounds and proteins due to their inability to account for… read more here.
Keywords: compound protein; induced fit; fit theory; coldstartcpi ... See more keywords