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Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity

Molecular DockingMedicinal ChemistryEnsemble DockingNatural SciencesMedicineRational Drug DesignClick ChemistryChemistryChemical BiologyPharmacologyMolecular DynamicsKnoevenagel Curcumin DerivativesDrug Discovery