Improved Prediction of Ligand–Protein Binding Affinities by Meta-modeling
Lee H, Emani P, Gerstein M. Improved Prediction of Ligand–Protein Binding Affinities by Meta-modeling. Journal Of Chemical Information And Modeling 2024 PMID: 39576762, DOI: 10.1021/acs.jcim.4c01116.Peer-Reviewed Original ResearchBinding affinity predictionAffinity predictionMeta-modelMeta-modeling approachLigand-protein binding affinityState-of-the-art deep learning toolsState-of-the-artBinding affinityDeep learning modelsDeep learning toolsMolecular descriptorsInclusion of featuresVirtual screeningBase modelDatabase scalabilityGeneralization capabilityDiverse modeling approachesTraining databaseApplication benchmarksDrug ligandsLearning modelsLigandPhysicochemical propertiesLearning toolsDevelopment efforts