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Identification of COX-2 inhibitors via structure-based virtual screening and molecular dynamics simulation

Molecular DockingMolecular RecognitionMedicinal ChemistryVirtual ScreeningEngineeringHit IdentificationDrug TargetCox-2 InhibitorsMedicineRational Drug DesignMolecular Dynamics SimulationSystems BiologyPharmacologyDrug DiscoveryStructure-based Virtual Screening