A team of scientists of the University of Chicago and the University of California San Diego has developed a coarse-grained (CG) model of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virion. The model can be used as a valuable resource to perform multiscale simulations of the SARS-CoV-2 virion. The study is currently available on the bioRxiv* preprint server.
SARS-CoV-2, the causative pathogen of the coronavirus disease 2019 (COVID-19) pandemic, is a positive-sense single-stranded RNA virus with a genome size of 30 kb. To obtain a detailed overview of SARS-CoV-2 viral proteins and their functions, many structural biology studies have been performed using cryo-electron microscopy and x-ray crystallographic techniques. Simultaneously, many computational biology studies have also been done to predict unresolved genome regions using multiple protein folding algorithms. However, given the difficulty in simulating biomolecules at atomic resolutions, all-atom molecular dynamic simulation of various viral processes, such as virion