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10.1016/j.chemphys.2020.111080 http://scihub22266oqcxt.onion/10.1016/j.chemphys.2020.111080 33519023!7834164!33519023     free     free     free Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Chem+Phys 2021 ; 542 (ä): 111080 Nephropedia Template TP {{tp|p=33519023|t=2021. Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease |pdf=|usr=}}{{33519023}} gab.com Text Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease JO: Chem Phys http://www.kidney.de/pget.php?&tw=1&pmid=33519023 #FOAvip Coronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (M(pro)) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 M(pro) were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stably to the COVID-19 M(pro) from the molecular dynamics simulation. Moreover, the MM/PBSA free energy calculations suggest that lopinavir with positive charge might be most active against COVID-19 M(pro). Twit Text FOAVip Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease ????Chem Phys http://www.kidney.de/pget.php?&tw=1&pmid=33519023 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33519023 #FOAvip English Wikipedia <ref>{{Cite pmid|33519023}}</ref> Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease #MMPMID33519023 Liu J; Zhai Y; Liang L; Zhu D; Zhao Q; Qiu Y Chem Phys 2021[Feb]; 542 (ä): 111080 PMID33519023show ga Coronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (M(pro)) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 M(pro) were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stably to the COVID-19 M(pro) from the molecular dynamics simulation. Moreover, the MM/PBSA free energy calculations suggest that lopinavir with positive charge might be most active against COVID-19 M(pro). äMolecular modeling evaluation of the binding effect of five protease i(epmc).pdf DeepDyve Pubget Overpricing