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10.1021/acsami.1c18104 http://scihub22266oqcxt.onion/10.1021/acsami.1c18104 34933561!ä!34933561 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 253.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Warning: imagejpeg(C:\Inetpub\vhosts\kidney.de\httpdocs\phplern\34933561.jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117       ACS+Appl+Mater+Interfaces 2022 ; 14 (1): 191-200 Nephropedia Template TP {{tp|p=34933561|t=2022. The Inhibition of SARS-CoV-2 3CL M(pro) by Graphene and Its Derivatives from Molecular Dynamics Simulations |pdf=|usr=}}{{34933561}} gab.com Text The Inhibition of SARS-CoV-2 3CL M(pro) by Graphene and Its Derivatives from Molecular Dynamics Simulations JO: ACS Appl Mater Interfaces http://www.kidney.de/pget.php?&tw=1&pmid=34933561 #FOAvip At present, the most powerful new drugs for COVID-19 are antibody proteins. In addition, there are some star small molecule drugs. However, there are few studies on nanomaterials. Here, we study the intact graphene (IG), defective graphene (DG), and graphene oxide (GO) interacting with COVID-19 protein. We find that they show progressive inhibition of COVID-19 protein. By using molecular dynamics simulations, we study the interactions between SARS-CoV-2 3CL M(pro) and graphene-related materials (GRMs): IG, DG, and GO. The results show that M(pro) can be absorbed onto the surfaces of investigated materials. DG and GO interacted with M(pro) more intensely, causing the decisive part of M(pro) to become more flexible. Further analysis shows that compared to IG and GO, DG can inactivate M(pro) and inhibit its expression effectively by destroying the active pocket of M(pro). Our work not only provides detailed and reliable theoretical guidance for the application of GRMs in treating with SARS-CoV-2 but also helps in developing new graphene-based anti-COVID-19 materials. Twit Text FOAVip The Inhibition of SARS-CoV-2 3CL M(pro) by Graphene and Its Derivatives from Molecular Dynamics Simulations ????ACS Appl Mater Interfaces http://www.kidney.de/pget.php?&tw=1&pmid=34933561 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34933561 #FOAvip English Wikipedia <ref>{{Cite pmid|34933561}}</ref> The Inhibition of SARS-CoV-2 3CL M(pro) by Graphene and Its Derivatives from Molecular Dynamics Simulations #MMPMID34933561 Wang J; Yu Y; Leng T; Li Y; Lee ST ACS Appl Mater Interfaces 2022[Jan]; 14 (1): 191-200 PMID34933561show ga At present, the most powerful new drugs for COVID-19 are antibody proteins. In addition, there are some star small molecule drugs. However, there are few studies on nanomaterials. Here, we study the intact graphene (IG), defective graphene (DG), and graphene oxide (GO) interacting with COVID-19 protein. We find that they show progressive inhibition of COVID-19 protein. By using molecular dynamics simulations, we study the interactions between SARS-CoV-2 3CL M(pro) and graphene-related materials (GRMs): IG, DG, and GO. The results show that M(pro) can be absorbed onto the surfaces of investigated materials. DG and GO interacted with M(pro) more intensely, causing the decisive part of M(pro) to become more flexible. Further analysis shows that compared to IG and GO, DG can inactivate M(pro) and inhibit its expression effectively by destroying the active pocket of M(pro). Our work not only provides detailed and reliable theoretical guidance for the application of GRMs in treating with SARS-CoV-2 but also helps in developing new graphene-based anti-COVID-19 materials. |*Molecular Dynamics Simulation[MESH] |Adsorption[MESH] |Binding Sites[MESH] |COVID-19/pathology/virology[MESH] |Catalytic Domain[MESH] |Coronavirus 3C Proteases/*chemistry/metabolism[MESH] |Graphite/*chemistry/metabolism[MESH] |Humans[MESH] |Ligands[MESH]The Inhibition of SARS-CoV-2 3CL M(pro) by Graphene and Its Derivative(epmc).pdf DeepDyve Pubget Overpricing