Graphene oxide and flavonoids as potential inhibitors of the spike protein of SARS-CoV-2 variants and interaction between ligands: a parallel study of molecular docking and DFT
Júlia Vaz Schultz, Mariana Zancan Tonel, Mirkos Ortiz Martins, Solange Binotto Fagan
Topics & Concepts
ChemistryBiomoleculeNanocarriersGrapheneVitexinDocking (animal)Density functional theoryMolecular dynamicsOxideBinding energyNanotechnologyCombinatorial chemistryComputational chemistryDrug deliveryBiochemistryOrganic chemistryMaterials scienceFlavonoidNursingMedicinePhysicsNuclear physicsAntioxidantGraphene and Nanomaterials ApplicationsNanoparticle-Based Drug DeliveryNanoparticles: synthesis and applications