Accurate peptide-protein docking tools

A main focus of our group is the development of protocols for the accurate modeling of peptide-mediated interactions. In terms of application, these bring in reach the detailed study of interactions that were previously out of reach. In terms of basic research, these reveal basic strategies used by Nature to allow refined regulation.

Rosetta FlexPepDock was developed to address the challenge of modeling the conformational flexibility upon binding encountered in peptide-mediated interactions.

Rosetta FlexPepDock was one of the first dedicated peptide-protein docking protocols that explicitly model the flexibility of a peptide during binding. It has allowed the structural characterization of many peptide-mediated interactions, and raised the interest in peptide-protein interactions in the CAPRI docking community and beyond.

Rosetta FlexPepDock has motivated the development of a variety of additional peptide- docking protocols (summarized in a Book “Modeling Peptide-Protein Interactionsedited by us).