SARS-CoV-2 paper online

Our collaborative efforts with Prof. Sai Li at Tsinghua University to model and simulate SARS-CoV-2 have been published in Quantitative Biology. Undertaking the challenging task of intricately modeling SARS-CoV-2, we have gained extensive experience in dealing with such complex systems, drawing from our own investigations as well as the research papers of other teams. Dali and Jiaxuan dedicated significant time and effort to modeling the virion structure as accurately as possible, leading to the discovery of interesting dynamics of viral proteins and lipids during coarse-grained Martini simulations. Additionally, we were fortunate to utilize China's E-scale Tianhe-3 supercomputer, conducting all-atom simulations on the massive system comprising 274,193,494 atoms.