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In silico model for P-glycoprotein substrate prediction: insights from molecular dynamics and in vitro studies

Silico ModelBiochemistryBiomolecular Structure PredictionProtein FoldingNatural SciencesMedicineGlycobiologyMolecular BiologyProtein ModelingProtein Structure PredictionProtein EngineeringBiomolecular InteractionP-glycoprotein Substrate PredictionProteomicsMolecular DynamicsGlycosylation