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Structural activity, spectroscopic, Fukui, NCI, AIM, IGM combined with molecular docking and molecular dynamics simulation on 4-methylpyridinium 4-hydroxybenzoate-potent drug anti-leukemia cancer

Medicinal ChemistryMedicineNatural SciencesPharmacologyRational Drug DesignStructural ActivityMolecular Dynamics SimulationComputational ChemistryClick ChemistryChemistryAnti-cancer AgentMolecular DockingDrug Discovery