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ABSTRACT:
SUBMITTER: Shekaari A
PROVIDER: S-EPMC7480992 | biostudies-literature | 2021 Jan
REPOSITORIES: biostudies-literature
Shekaari Ashkan A Jafari Mahmoud M
Journal of molecular structure 20200909
Based on the importance of protease enzymes in functioning some viruses particularly coronaviridae, we have carried out an in silico investigation on the biologically important, yet unmapped phenomenon of activity and internal dynamics of COVID-19 main protease (M<sup>pro</sup>) via applying finite-temperature all-atom molecular dynamics simulations. Temperature quench echoes generated by applying two successive cooling signals have therefore been analyzed in terms of the temperature-temperature ...[more]