The pepATTRACT web server for blind, large-scale peptide-protein docking

作者：de Vries Sjoerd J; Rey Julien; Schindler Christina E M; Zacharias Martin; Tuffery Pierre^*

来源：Nucleic Acids Research, 2017, 45(W1): W361-W364.

DOI：10.1093/nar/gkx335

Peptide-protein interactions are ubiquitous in the cell and form an important part of the interactome. Computational docking methods can complement experimental characterization of these complexes, but current protocols are not applicable on the proteome scale. pepATTRACT is a novel docking protocol that is fully blind, i.e. it does not require any information about the binding site. In various stages of its development, pepATTRACT has participated in CAPRI, making successful predictions for five out of seven protein-peptide targets. Its performance is similar or better than state-of-the-art local docking protocols that do require binding site information. Here we present a novel web server that carries out the rigid-body stage of pepATTRACT. On the pep-tiDB benchmark, the web server generates a correct model in the top 50 in 34% of the cases. Compared to the full pepATTRACT protocol, this leads to some loss of performance, but the computation time is reduced from similar to 18 h to similar to 10 min. Combined with the fact that it is fully blind, this makes the web server well-suited for large-scale in silico protein-peptide docking experiments. The rigid-body pepATTRACT server is freely available at http://bioserv. rpbs.univparis-diderot.fr/services/pepATTRACT.

• 出版日期2017-7-3