Methods · 2023 · 18 citations · 18 references
PharmacyBioinformaticsPharmacologyComputational Medicinal ChemistryDrug DiscoveryMolecular RecognitionBinding Affinity PredictionDrug-receptor InteractionsDrug-target Interaction MappingMolecular DockingProtein-ligand DockingReceptor BindingDrug - Target Binding Affinity PredictionDrug-target Binding Affinity PredictionLigand-target Binding PredictionMultimodal Representation LearningProtein - Ligand Affinity Prediction
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Improved protein–ligand docking using GOLD
Marcel L. Verdonk, Jason C. Cole, Michael J. Hartshorn et al. · Proteins Structure Function and Bioinformatics · 2003 · 3K citations · Full text
Comprehensive analysis of kinase inhibitor selectivity
Mindy I. Davis, Jeremy P. Hunt, Sanna Herrgård et al. · Nature Biotechnology · 2011 · 2.4K citations · Full text
DeepDTA: deep drug–target binding affinity prediction
Hakime Öztürk, Arzucan Özgür · Bioinformatics · 2018 · 1.6K citations · Full text