Targeting multiple conformations of SARS-CoV2 Papain-Like Protease for drug repositioning: An in-silico study
Muhammad I. Ismail, Hanan M. Ragab, Adnan A. Bekhit, Tamer M. Ibrahim
Topics & Concepts
In silicoVirtual screeningComputational biologyDocking (animal)ChemistryAutoDockProteaseBinding siteDrug discoveryMolecular dynamicsCoronavirus disease 2019 (COVID-19)BiochemistryBiologyMedicineEnzymeComputational chemistryGeneDiseaseNursingPathologyInfectious disease (medical specialty)Computational Drug Discovery MethodsProtein Structure and DynamicsSARS-CoV-2 and COVID-19 Research