EU - HelixMold - Computational design of novel functions in helical proteins by deviating from ideal geometries

We propose to computationally design novel ligand binding and catalytically active proteins by harnessing the high thermodynamic stability of de novo helical proteins.
We aim to:
-Characterize to which extent we can harness the stability of parametrically designed helical bundles to introduce deviations from ideal geometry.
-Develop a new computational design strategy, which expands on the Crick coiled-coil parametrization and allows to rationally build non-ideal helical protein backbones at specified regions in the desired structure.
-Investigate new strategies to design the first cascade reactions into de novo designs.