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_5
Snippet: Starting from the peptide-protein complex, we used our protein design approaches, EvoEF2 18 and EvoDesign 19 , to completely redesign the amino acid sequences that match the peptide scaffold while enhancing its binding affinity to SARS-CoV-2. We have selected dozens of designed peptides for wet-lab experimental validation and the experiments are ongoing. Although our experimental results are not available yet, we have performed extensive computat.....
Document: Starting from the peptide-protein complex, we used our protein design approaches, EvoEF2 18 and EvoDesign 19 , to completely redesign the amino acid sequences that match the peptide scaffold while enhancing its binding affinity to SARS-CoV-2. We have selected dozens of designed peptides for wet-lab experimental validation and the experiments are ongoing. Although our experimental results are not available yet, we have performed extensive computational benchmark tests to show the reasonability of the computationally designed peptide binders. Due to the urgent situation caused by COVID-19 and the limited resources in our own laboratory, we share these computational data to the scientific community and hope researchers can work together to test them and to identify potential antiviral peptide therapeutics to combat this pandemic.
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