Flexible docking of peptides to proteins using CABS-dock

Protein Science, 29, 211–222, 2020

Authors: Kurciński Mateusz, Badaczewska-Dawid Aleksandra, Kolinski Michal, Kolinski Andrzej, Kmiecik Sebastian


Molecular docking of peptides to proteins can be a useful tool in the exploration of the possible peptide binding sites and poses. CABS-dock is a method for protein-peptide docking that features significant conformational flexibility of both the peptide and the protein molecules during the peptide search for a binding site. The CABS-dock has been made available as a web server and a standalone package. The web server is an easy to use tool with a simple web interface. The standalone package is a command-line program dedicated to professional users. It offers a number of advanced features, analysis tools and support for large-sized systems. In this article, we outline the current status of the CABS-dock method, its recent developments, applications, and challenges ahead.