Probing the interaction of new and biologically active Pd(II) complex with DNA/BSA via joint experimental and computational studies along with thermodynamic, NLO, FMO and NBO analysis
Ashraf Sadat Dorafshan Tabatabai, Effat Dehghanian, Hassan Mansouri-Torshizi
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryvan der Waals forceComputational chemistryHydrogen bondMolecular modelMolecular orbitalCircular dichroismMetalLipophilicityAcetylacetoneMoleculeBinding energySpectroscopyMolecular geometryBiomoleculeMolecular dynamicsTime-dependent density functional theoryLigand (biochemistry)Absorption spectroscopyIndole testHydrophobic effectResonance (particle physics)Interaction energyBond lengthChemical physicsStereochemistryPhysical chemistryMetal complexes synthesis and propertiesNonlinear Optical Materials ResearchProtein Interaction Studies and Fluorescence Analysis