Computational modeling can be a useful tool in the design and control of novel biomaterials. Non-natural coiled coil peptide bundles were used as molecular building blocks that self-assemble into 1D and 2D nanostructures. The sequences and structures of these building blocks can be designed computationally and functionalized with complementary reactive functional groups to link the building blocks covalently. These polymers can form flexible polymer chains or rigid rods with long persistence lengths. Here we discuss the design, modeling, and characterization of the peptide bundles, their polymeric structures, and intra-polymeric interactions on the interface between bundles.

Computational design and modeling of helical peptide assemblies

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.