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10.1016/j.molstruc.2020.129461 http://scihub22266oqcxt.onion/10.1016/j.molstruc.2020.129461 33100379!7568473!33100379     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=33100379&cmd=llinks): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 215 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Mol+Struct 2021 ; 1228 (ä): 129461 Nephropedia Template TP {{tp|p=33100379|t=2021. DFT investigation of atazanavir as potential inhibitor for 2019-nCoV coronavirus M protease |pdf=|usr=}}{{33100379}} gab.com Text DFT investigation of atazanavir as potential inhibitor for 2019-nCoV coronavirus M protease JO: J Mol Struct http://www.kidney.de/pget.php?&tw=1&pmid=33100379 #FOAvip Atazanavir (ATZ) is an antiviral drug synthesized.ATZ is being investigated for potential application against the Coronavirus 2019-nCoV. To find candidate drugs for 2019-nCoV, we have carried out a computational study to screen for effective available drug ATZ which may work as an inhibitor for the Mpro of 2019-nCoV. In the present work, the first time the molecular structure of ATZ molecule has been studied using Density Functional Theory (CAMB3LYP/6-31G*) in solvent water. The electronic properties, atomic charges, MEP, NBO analysis, and excitation energies of ATZ have also been studied. The interaction of ATZ compound with the Coronavirus was performed by molecular docking studies. Twit Text FOAVip DFT investigation of atazanavir as potential inhibitor for 2019-nCoV coronavirus M protease ????J Mol Struct http://www.kidney.de/pget.php?&tw=1&pmid=33100379 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33100379 #FOAvip English Wikipedia <ref>{{Cite pmid|33100379}}</ref> DFT investigation of atazanavir as potential inhibitor for 2019-nCoV coronavirus M protease #MMPMID33100379 Shahab S; Sheikhi M; Alnajjar R; Saud SA; Khancheuski M; Strogova A J Mol Struct 2021[Mar]; 1228 (ä): 129461 PMID33100379show ga Atazanavir (ATZ) is an antiviral drug synthesized.ATZ is being investigated for potential application against the Coronavirus 2019-nCoV. To find candidate drugs for 2019-nCoV, we have carried out a computational study to screen for effective available drug ATZ which may work as an inhibitor for the Mpro of 2019-nCoV. In the present work, the first time the molecular structure of ATZ molecule has been studied using Density Functional Theory (CAMB3LYP/6-31G*) in solvent water. The electronic properties, atomic charges, MEP, NBO analysis, and excitation energies of ATZ have also been studied. The interaction of ATZ compound with the Coronavirus was performed by molecular docking studies. äDFT investigation of atazanavir as potential inhibitor for 2019-nCoV c(epmc).pdf DeepDyve Pubget Overpricing