Target SARS-CoV-2: computation of binding energies with drugs of dexamethasone/umifenovir by molecular dynamics using OPLS-AA force field
S. M. Abdul Nayeem, Ershad Mohammed Sohail, G. Ridhima, M. Srinivasa Reddy
Topics & Concepts
DexamethasoneCoronavirus disease 2019 (COVID-19)Force field (fiction)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)MedicinePharmacologyComputer scienceArtificial intelligenceInternal medicineDiseaseInfectious disease (medical specialty)thermodynamics and calorimetric analysesComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Research