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QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme

Molecular SciencesThioredoxin Reductase EnzymeEngineeringBiochemistryDrug TargetNatural SciencesRational Drug DesignMolecular BiologyMolecular DesignMolecular SimulationMolecular DockingMolecular ModelingMolecular DynamicsSmall MoleculesDrug Discovery