Probing the structural properties, binding mode and intermolecular interactions of herbacetin against H1N1 neuraminidase using vibrational spectroscopic, quantum chemical calculation and molecular docking studies
Sathya Bangaru, Prasath Manivannan
Topics & Concepts
Intermolecular forceChemistryNatural bond orbitalDocking (animal)MoleculeDensity functional theoryComputational chemistryHOMO/LUMOOrganic chemistryNursingMedicineNonlinear Optical Materials ResearchSynthesis and biological activityBioactive Compounds and Antitumor Agents