Non-covalent interaction, biological activity prediction, topology and molecular docking studies on adenine derivative
D. Raja Durai, N. Elangovan, S. Sowrirajan, Natarajan Arumugam, T. Sankar Ganesan, Abdulrahman I. Almansour, Shanty Mathew, Sakkarapalayam M. Mahalingam
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOComputational chemistryMulliken population analysisMoleculeElectrophileNucleophileDocking (animal)Covalent bondStereochemistryPhysical chemistryDensity functional theoryOrganic chemistryMedicineCatalysisNursingNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity