Modeling and Simulation of Fully-glycosylated Spike Protein in Complex with Antibodies

Coronavirus disease 2019 (COVID-19) is an infectious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). As of October, 2020, over 35 million people have been confirmed to be infected and the death toll has surpassed 1 million. Due to unavailability of approved antiviral medicines or vaccines, the current treatment strategy is supportive care to relieve symptoms and isolation of infected individuals to reduce transmission, which has placed a huge burden on the public healthcare system and led to massive social and economic distress. Coronaviruses are enveloped viruses with a positive-sense single-stranded RNA genome. The spike (S) protein anchored in the viral envelope is a class I fusion protein that mediates receptor binding and host cell entry, and it is the main surface antigen ofcoronavirus. S protein is a homotrimer, and each monomercontains multiple functional domains.