CABS-dock web server for the flexible docking of peptides to proteins without prior knowledge of the binding site.

ABSTRACT: Protein-peptide interactions play a key role in cell functions. Their structural characterization, though challenging, is important for the discovery of new drugs. The CABS-dock web server provides an interface for modeling protein-peptide interactions using a highly efficient protocol for the flexible docking of peptides to proteins. While other docking algorithms require pre-defined localization of the binding site, CABS-dock does not require such knowledge. Given a protein receptor structure and a peptide sequence (and starting from random conformations and positions of the peptide), CABS-dock performs simulation search for the binding site allowing for full flexibility of the peptide and small fluctuations of the receptor backbone. This protocol was extensively tested over the largest

SUBMITTER: Kurcinski M 

PROVIDER: S-EPMC4489223 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature