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10.1016/j.molstruc.2020.129235 http://scihub22266oqcxt.onion/10.1016/j.molstruc.2020.129235 32929291!7480992!32929291     free     free     free       J+Mol+Struct 2021 ; 1223 (ä): 129235 Nephropedia Template TP {{tp|p=32929291|t=2021. Structural dynamics of COVID-19 main protease |pdf=|usr=}}{{32929291}} gab.com Text Structural dynamics of COVID-19 main protease JO: J Mol Struct http://www.kidney.de/pget.php?&tw=1&pmid=32929291 #FOAvip 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(pro)) 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 correlation function of the protease within the harmonic approximation. An exponentially decaying brand of behavior has been found for the calculated echo depth values with increasing time, which has accordingly led to a much small dephasing time of about 150 fs, revealing a significant anharmonicity and therefore an overall structural stiffness for the COVID-19 main protease. Twit Text FOAVip Structural dynamics of COVID-19 main protease ????J Mol Struct http://www.kidney.de/pget.php?&tw=1&pmid=32929291 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32929291 #FOAvip English Wikipedia <ref>{{Cite pmid|32929291}}</ref> Structural dynamics of COVID-19 main protease #MMPMID32929291 Shekaari A; Jafari M J Mol Struct 2021[Jan]; 1223 (ä): 129235 PMID32929291show ga 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(pro)) 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 correlation function of the protease within the harmonic approximation. An exponentially decaying brand of behavior has been found for the calculated echo depth values with increasing time, which has accordingly led to a much small dephasing time of about 150 fs, revealing a significant anharmonicity and therefore an overall structural stiffness for the COVID-19 main protease. äStructural dynamics of COVID-19 main protease (epmc).pdf DeepDyve Pubget Overpricing