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10.1002/chem.202104215 http://scihub22266oqcxt.onion/10.1002/chem.202104215 34962015!9015468!34962015     free     free     free 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 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 247.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Chemistry 2022 ; 28 (6): e202104215 Nephropedia Template TP {{tp|p=34962015|t=2022. Computational Insights into the Allosteric Effect and Dynamic Structural Features of the SARS-COV-2 Spike Protein |pdf=|usr=}}{{34962015}} gab.com Text Computational Insights into the Allosteric Effect and Dynamic Structural Features of the SARS-COV-2 Spike Protein JO: Chemistry http://www.kidney.de/pget.php?&tw=1&pmid=34962015 #FOAvip COVID-19 caused by SARS-COV-2 is continuing to surge globally. The spike (S) protein is the key protein of SARS-COV-2 that recognizes and binds to the host target ACE2. In this study, molecular dynamics simulation was used to elucidate the allosteric effect of the S protein. Binding of ACE2 caused a centripetal movement of the receptor-binding domain of the S protein. The dihedral changes in Phe329 and Phe515 played a key role in this process. Two potential cleavage sites S1/S2 and S2' were exposed on the surface after the binding of ACE2. The binding affinity of SARS-COV-2 S protein and ACE2 was higher than that of SARS-COV. This was mainly due to the mutation of Asp480 in SARS-COV to Ser494 in SARS-COV-2, which greatly weakened the electrostatic repulsion. The result provides a theoretical basis for the SARS-COV-2 infection and aids the development of biosensors and detection reagents. Twit Text FOAVip Computational Insights into the Allosteric Effect and Dynamic Structural Features of the SARS-COV-2 Spike Protein ????Chemistry http://www.kidney.de/pget.php?&tw=1&pmid=34962015 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34962015 #FOAvip English Wikipedia <ref>{{Cite pmid|34962015}}</ref> Computational Insights into the Allosteric Effect and Dynamic Structural Features of the SARS-COV-2 Spike Protein #MMPMID34962015 Xue Q; Liu X; Pan W; Zhang A; Fu J; Jiang G Chemistry 2022[Jan]; 28 (6): e202104215 PMID34962015show ga COVID-19 caused by SARS-COV-2 is continuing to surge globally. The spike (S) protein is the key protein of SARS-COV-2 that recognizes and binds to the host target ACE2. In this study, molecular dynamics simulation was used to elucidate the allosteric effect of the S protein. Binding of ACE2 caused a centripetal movement of the receptor-binding domain of the S protein. The dihedral changes in Phe329 and Phe515 played a key role in this process. Two potential cleavage sites S1/S2 and S2' were exposed on the surface after the binding of ACE2. The binding affinity of SARS-COV-2 S protein and ACE2 was higher than that of SARS-COV. This was mainly due to the mutation of Asp480 in SARS-COV to Ser494 in SARS-COV-2, which greatly weakened the electrostatic repulsion. The result provides a theoretical basis for the SARS-COV-2 infection and aids the development of biosensors and detection reagents. |*Molecular Dynamics Simulation[MESH] |*SARS-CoV-2[MESH] |COVID-19[MESH] |Humans[MESH] |Protein Binding[MESH]Computational Insights into the Allosteric Effect and Dynamic Structur(epmc).pdf DeepDyve Pubget Overpricing