Selected article for: "energy function and low energy"
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_24
    Snippet: Eight out of the 1000 low-energy sequences that were designed using the EvoEF2 energy function were duplicates, resulting in 992 non-redundant designs. The EvoEF2 total energy values of the designed protein complex structures ranged from -829 to -816 EvoEF2 energy unit (EEU), the majority of which varied from -827 to -822 EEU (Figure 2A ). The EvoEF2 binding energies of the 992 designed peptides to SARS-CoV-2 RBD ranged from -53 to -40 EEU, cente.....
    Document: Eight out of the 1000 low-energy sequences that were designed using the EvoEF2 energy function were duplicates, resulting in 992 non-redundant designs. The EvoEF2 total energy values of the designed protein complex structures ranged from -829 to -816 EvoEF2 energy unit (EEU), the majority of which varied from -827 to -822 EEU (Figure 2A ). The EvoEF2 binding energies of the 992 designed peptides to SARS-CoV-2 RBD ranged from -53 to -40 EEU, centering around -50 to -47 EEU ( Figure 2B ). The sequence identities between the designed peptides and the wildtype peptide was diversely distributed, varying from 15% to 50% and centering around 37%

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