Exploring the antiviral potency of γ-FP and PA compounds: Electronic characterization, non-covalent interaction analysis and docking profiling with emphasis on QTAIM aspects
A. Aathif Basha, Attar Kubaib, Mohammad Azam
Topics & Concepts
Natural bond orbitalChemistryComputational chemistryDocking (animal)Delocalized electronDensity functional theoryHydrogen bondStereochemistryMoleculeOrganic chemistryNursingMedicineComputational Drug Discovery MethodsNonlinear Optical Materials ResearchFree Radicals and Antioxidants