Theoretical and computational approaches to accurately predict the structures of a unique family of circular and knotted proteins.

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The primary outcome will be a fundamental new knowledge on cyclotide structures and a new protein engineering method to design stabilised proteins. Because cyclotides have significantly higher stabilities than conventional proteins, they have a range of pharmaceutical and agricultural applications. Both fields of use have the potential for very great economic and social benefits for Australia. From a pharmaceutical perspective our computing development will greatly facilitate the design of stabilised peptide-based drugs using the cyclotide framework. Such drugs have potential sales of several billion dollars per annum and the royalty returns from successful commercialisation of IP can be substantial.