Potential phytochemical inhibitors of SARS-CoV-2 helicase Nsp13: a molecular docking and dynamic simulation study
R.P. Vivek-Ananth, S. Krishnaswamy, Areejit Samal
Topics & Concepts
HelicaseDocking (animal)ChemistryPhytochemicalMolecular dynamicsBinding siteNatural productVirtual screeningMolecular mechanicsStereochemistryBiochemistryComputational chemistryMedicineNursingGeneRNAComputational Drug Discovery MethodsEssential Oils and Antimicrobial ActivityPlant biochemistry and biosynthesis