Applications of density functional theory in COVID-19 drug modeling
Naike Ye, Zekai Yang, Yuchen Liu
Topics & Concepts
Density functional theoryCoronavirus disease 2019 (COVID-19)Drug discoverySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Drug2019-20 coronavirus outbreakComputer scienceNanotechnologyAntiviral drugPandemicCoronavirusComputational biologyComputational chemistryMedicineChemistryBioinformaticsVirologyPharmacologyBiologyMaterials scienceInfectious disease (medical specialty)OutbreakPathologyDiseaseComputational Drug Discovery MethodsProtein Structure and DynamicsPharmacological Receptor Mechanisms and Effects