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. 2019 Jun 4;35(24):5121–5127. doi: 10.1093/bioinformatics/btz459

Table 1.

Summary of three categories of peptide docking methods

Category Flexibility Description Examples
Template docking None or little Use sequence-based homology model to predict docking poses GalaxyPepDock
Ensemble docking Conformation ensemble Prepare a conformation ensemble to describe peptide flexibility and then dock the conformations back into receptor
  • HPepDock

  • MDockPep

  • pepATTRACT

De novo method Fully flexible Model peptide flexibility with the respect to the receptor ADCP
  • AnchorDock

  • CABS-Dock

  • FlexPepDock

  • HADDOCK