Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein
Giuseppe Deganutti, Filippo Prischi, Christopher A. Reynolds
Topics & Concepts
DruggabilityIn silicoCoronavirusComputational biologyDocking (animal)BiologyDrug repositioningSmall moleculeSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)RepurposingVirologyCoronavirus disease 2019 (COVID-19)GeneticsInfectious disease (medical specialty)DrugMedicinePharmacologyDiseaseGeneEcologyPathologyNursingSARS-CoV-2 and COVID-19 ResearchComputational Drug Discovery MethodsProtein Structure and Dynamics