Table 1. Existing peptide-protein complex modeling methods.
Method | Category | Availability | Requires binding site | Initial peptide conformation | Tested (max) amino acidsa |
---|---|---|---|---|---|
Hetenyi et al. [20] | Docking | No | No | TINKER [33] | 4 |
Liu et al. [22] | Docking | No | Yes | Bound conformation | 16 |
Rosetta FlexPepDock ab-initio [23, 24] | Docking | Yes | Yes | Predicted fragments | 15 (30) |
HADDOCK [25] | Docking | Yes | Yes | α-helix, extended, polyproline | 15 |
pepATTRACT [26] | Docking | Yes | No | α-helix, extended, polyproline | 15 |
CABS-DOCK [27] | Docking | Yes | No | Random | 15 (30) |
MdockPeP [21] | Docking | No | No | Sequence-based search | 15 |
DynaDock [17] | MD | No | Yes | Bound conformation | 16 |
Dagliyan et al. [18] | MD | No | No | Bound conformation | 13 |
AnchorDock [19] | MD | No | No | Extended/MD | 15 |
a: Tested is the longest peptide in the published test set and max is the maximum length allowed by the web server.