Author: Xiaoqiang Huang; Robin Pearce; Yang Zhang
Title: Computational Design of Peptides to Block Binding of the SARS-CoV-2 Spike Protein to Human ACE2 Document date: 2020_3_31
ID: imkeghfd_22
Snippet: In fact, we manually inspected 6m0j and 6m17 and found that significantly more steric clashes were present in 6m17 (data not shown). Moreover, Shang et al 21 demonstrated that the artificial SARS-CoV-2 chimeric RBD showed improved binding affinity to hACE2, compared to the wildtype SARS-CoV-2, and this improvement was also somewhat captured by EvoEF2 (Table 1 ). Thus, out of the two wild-type SARS-CoV-2 RBD/hACE2 structures (6m0j and 6m17), only .....
Document: In fact, we manually inspected 6m0j and 6m17 and found that significantly more steric clashes were present in 6m17 (data not shown). Moreover, Shang et al 21 demonstrated that the artificial SARS-CoV-2 chimeric RBD showed improved binding affinity to hACE2, compared to the wildtype SARS-CoV-2, and this improvement was also somewhat captured by EvoEF2 (Table 1 ). Thus, out of the two wild-type SARS-CoV-2 RBD/hACE2 structures (6m0j and 6m17), only 6m0j was used as a template structure for the peptide design study because it was better refined.
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