Publication | Open Access

Molecular docking/dynamics simulations, MEP analysis, bioisosteric replacement and ADME/T prediction for identification of dual targets inhibitors of Parkinson’s disease with novel scaffold

Molecular DockingDrug TargetEngineeringMep AnalysisMedicineRational Drug DesignProtein ModelingNovel ScaffoldMolecular Docking/dynamics SimulationsSystems BiologyPharmacologyMolecular ModelingDrug Discovery