This [CPU] project simulates the Non-structural protein 16 (NSP16) in it's monomeric form of SARS-CoV-2. This protein is involved in mRNA capping. That is, the virus' genetic material is made of RNA, and is prone to instability and being chewed up (degradation) by our immune system. To deal with this, the virus uses NSP16 which acts to "cap" the RNA, which allows the viral genome to be stable, useful, and able to avoid being chewed up. This in turn allows the virus to replicate and infect.
In this project we are simulating this NSP16 protein, in the hopes of both understanding it's behavior and identifying "cryptic" druggable pockets that are not identified by our normal drug design methods. This protein is also activated by NSP10, which is an "activator".
This project is related to p16402, 16403, 16416, and 16418.
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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