Publication | Open Access

D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors

Drug TargetAffinity RankingMedicineComputational BiologyPharmacologyMolecular BiologyLigand SimilarityRational Drug DesignMm-gbsa-based Pose PredictionMolecular DockingBioinformaticsTarget PredictionProtein BioinformaticsDrug Discovery