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Flexible docking of peptides to proteins using CABS‐dock
Authors:Mateusz Kurcinski  Aleksandra Badaczewska‐Dawid  Michal Kolinski  Andrzej Kolinski  Sebastian Kmiecik
Abstract: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.
Keywords:molecular modeling  peptide drugs  peptide therapeutics  protein–  peptide complex  protein–  peptide interactions  structure prediction
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