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Homology modeling, virtual screening, molecular docking, molecular dynamic (MD) simulation, and ADMET approaches for identification of natural anti-Parkinson agents targeting MAO-B protein

Molecular RecognitionMedicinal ChemistryVirtual ScreeningEngineeringDrug TargetMedicinePharmacologyRational Drug DesignHomology ModelingProtein ModelingSystems BiologyMolecular DockingDrug Discovery