Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro
Nguyễn Minh Tâm, Pham Cam Nam, Dương Tuấn Quang, Nguyễn Thanh Tùng, Van V. Vu, Sơn Tùng Ngô
Abstract
binding pose and noncovalent contact analyses. Our study results show that it is possible to speed up computer-aided drug design for SARS-CoV-2 Mpro by focusing on the monomeric form instead of the larger dimeric one.
Topics & Concepts
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ChemistryCoronavirus disease 2019 (COVID-19)Monomer2019-20 coronavirus outbreakSars virusStereochemistryCombinatorial chemistryComputational biologyBiochemistryVirologyBiologyMedicineOrganic chemistryOutbreakInfectious disease (medical specialty)PathologyPolymerDiseaseComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchProtein Structure and Dynamics