An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
Tanmoy Saha, Subrahmanyam Sappati, Saurabh Das
Topics & Concepts
Molecular dynamicsDNAChemistryHydrogen bondDocking (animal)MoleculeRadius of gyrationStackingCrystallographyMolecular modelComputational chemistryStereochemistryBiochemistryOrganic chemistryPolymerNursingMedicineMetal complexes synthesis and propertiesDNA and Nucleic Acid ChemistryNonlinear Optical Materials Research