Table 11 Zika E peptides–HLA-A*02:01 interaction.

From: Towards peptide vaccines against Zika virus: Immunoinformatics combined with molecular dynamics simulations to predict antigenic epitopes of Zika viral proteins

  1. aFireDock energy for the best ranked complex
  2. binitial distance between the H-bond donor and the acceptor; measured with the FindHBond tool in Chimera (H-Bond constraints were relaxed by 1 Å and 20.0 degrees)
  3. cdistance between the H-bond donor and the acceptor after the energy minimization (min) and after the molecular dynamics simulation (MD); measured in PyMOL
  4. dnd = no detected H-bond.
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