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_21
Snippet: As shown in Table 1 , SARS-CoV-2 RBD showed stronger binding potency (lower EvoEF2 scores indicate stronger binding affinity) to hACE2 than SARS-CoV based on the calculations performed on two X-ray crystal structures (PDB IDs: 2ajf and 6m0j), regardless of whether or not the residues at the protein-protein interfaces were repacked; the computationally estimations were consistent with the experimental results (Table 1) . However, the EvoEF2 bindin.....
Document: As shown in Table 1 , SARS-CoV-2 RBD showed stronger binding potency (lower EvoEF2 scores indicate stronger binding affinity) to hACE2 than SARS-CoV based on the calculations performed on two X-ray crystal structures (PDB IDs: 2ajf and 6m0j), regardless of whether or not the residues at the protein-protein interfaces were repacked; the computationally estimations were consistent with the experimental results (Table 1) . However, the EvoEF2 binding scores calculated using the . CC-BY-NC-ND 4.0 International license author/funder. It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/2020.03.28.013607 doi: bioRxiv preprint Cryo-EM structure (i.e. 6m17) were much higher than those obtained from the X-ray structure 6m0j, suggesting that the Cryo-EM structure might not be as high quality as its X-ray counterparts.
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