Workshop on Topology: Identifying Order in Complex Systems

A standard question in contemporary proteomics asks which properties of proteins may be directly inferred from their molecular structure. Using only X-Ray crystallography data (of the type which is cataloged in the Protein Data Bank), I will outline a method which accurately estimates the compressibility of a given protein. The method involves imposing a filtered simplicial structure around the atom centers, computing certain algebraic-topological invariants, and employing rudimentary statistical techniques. This is joint work with Marcio Gameiro, Yasu Hiraoka, Shunsuke Izumi, Miro Kramar and Konstantin Mischaikow.