Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations
Tejas M. Dhameliya, Prinsa R. Nagar, Normi D. Gajjar
Topics & Concepts
Virtual screeningPharmacophoreDocking (animal)In silicoDOCKComputational biologyADMEMolecular dynamicsSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ChemistryCoronavirusDrug discoveryCoronavirus disease 2019 (COVID-19)BiochemistryBiologyMedicineInfectious disease (medical specialty)In vitroGeneDiseaseNursingPathologyComputational chemistrySARS-CoV-2 and COVID-19 ResearchComputational Drug Discovery MethodsMonoclonal and Polyclonal Antibodies Research