This project simulates the "dimerization" domain monomer of the Nucleoprotein of SARS-CoV-2. The nucleoprotein is involved in genome packaging of the virus, which means that it binds the genetic material of the virus, RNA, and packages it up, helping it remain stable as the virus assembles. This packaging also allows the RNA to avoid our immune response that would normally chew up this viral RNA.
Nucleoprotein contains 2 folded domains, the RNA binding domain and the "dimerization" domain, with a "floppy" disordered linker connecting them. In projects p16404 and p16406 we are simulating the RNA binding domain, and in this project we are simulating the other folded domain of the protein, involved in dimerization of the nucleoprotein as it assembles together to package the viral genome. This project specifically simulates the monomeric form in isolation. In p16429 we are simulating the dimeric form, which has been more well characterized.
Our hope is that by simulating both domains, we can build a more complete picture of the viral behavior by modeling the floppy linker between them, and have a better understanding of how this virus works to evade the host-immune response, and potential therapeutic strategies.
List of Contributors
This project is managed by Sukrit Singh at Washington University in St. Louis.
Sukrit Singh is a Biophysics PhD student in Greg Bowman's lab at Washington University in St. Louis.
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