Phytochemicals as potential inhibitors for COVID-19 revealed by molecular docking, molecular dynamic simulation and DFT studies
Vinduja Puthanveedu, K. Muraleedharan
Topics & Concepts
ChemistryIn silicoDocking (animal)Molecular mechanicsMolecular dynamicsDrug discoveryComputational chemistryComputational biologySmall moleculeFragment molecular orbitalMoleculeNanotechnologyMolecular orbitalBiochemistryOrganic chemistryBiologyMaterials scienceNursingGeneMedicineComputational Drug Discovery MethodsDiverse Scientific Research StudiesFree Radicals and Antioxidants