Comprehensive evaluation of docking algorithms for therapeutic peptides.

Therapeutic peptides are a unique class of pharmaceutical agents composed of a series of well-ordered amino acids, usually with molecular weights of 500-5000 Da. Peptide drug development has made great progress in the last decade and a wide variety of natural and modified peptides have been obtained and studied; remarkable achievements have been made resulting in the approval of more than 80 peptide drugs worldwide. The development of peptide drugs has thus become one of the hottest topics in pharmaceutical research. A performance evaluation of the current state-of-the-art peptide-protein docking algorithms on approved peptide drugs is therefore crucial to assess the quality of computational predictions.