Protein-protein interactions are at the heart of any functioning cell and organism. We are interested in elucidation of the structural details that allow for the complexity observed in protein interactions and function.
High-resolution modeling of protein-protein interactions. We use RosettaDock to create high-resolution models of protein-protein interactions. RosettaDock is a well-established docking protocol for the modeling of protein complexes starting from the free monomers that explicit models conformational changes at the interface that occur upon binding (read more). With this protocol we have been able to create high-resolution models in many of the CAPRI rounds (read more). Thus, RosettaDock can be used to create highly accurate models of protein complex structures that serve as starting point for the targeted manipulation of interactions by structure-based computational design, thereby opening an exciting new field of applications. (read more). In our current work, we extend our existing protocol to a variety of related applications, such as the prediction of protein-peptide binding, protein motion and binding specificity.
We have established, and are further developing, state-of the art, leading tools for the structure-based computational manipulation of proteins and their interactions. In the long term, we will bring those techniques to a point where we can (1) reliably apply them to large scale data and address general questions at the level of system biology; (2) consolidate routine applications for a range of interesting specific biomedical and biotechnological systems. Towards this goal, we have established, and continue to establish fruitful collaborations with experimental groups, which allow the cycling between modeling and experiment that is critical for our advancement in both our understanding of the basic underlying principles of protein intera
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