Scientists from the research group Tunneling Group, operating at the Biotechnology Center of the Silesian University of Technology, thoroughly learned the structure of the main protease of the SARS-CoV-2 virus – one of the key enzymes in the life cycle of the virus, using molecular dynamics simulations and proprietary software.
The researchers under the direction of Dr Artur Góra from the Biotechnology Center of the Silesian University of Technology in collaboration with researchers from the University of Alberta in Canada and the Turin University of Technology characterized the main protease SARS-CoV-2 (SARS-CoV-2 Mpro) and compared it with the corresponding enzyme of the virus causing SARS (SARS-CoV Mpro ).
Works on the characterization of SARS-CoV-2 Mpro began when the crystallographic structure of this protein became available. Based on it, the researchers performed molecular dynamics simulations, which were then analyzed for changes in protein dynamics and behavior.
