The role of directional interactions in the designability of generalized heteropolymers

作者:Cardelli Chiara; Bianco Valentino; Rovigatti Lorenzo; Nerattini Francesca; Tubiana Luca; Dellago Christoph; Coluzza Ivan
来源:Scientific Reports, 2017, 7(1): 4986.
DOI:10.1038/s41598-017-04720-7

摘要

xdHeteropolymers are important examples of self- assembling systems. However, in the design of artificial heteropolymers the control over the single chain self- assembling properties does not reach that of the natural bio- polymers, and in particular proteins. Here, we introduce a sufficiency criterion to identify polymers that can be designed to adopt a predetermined structure and show that it is fulfilled by polymers made of monomers interacting through directional (anisotropic) interactions. The criterion is based on the appearance of a particular peak in the radial distribution function, that we show being a universal feature of all designable heteropolymers, as it is present also in natural proteins. Our criterion can be used to engineer new self- assembling modular polymers that will open new avenues for applications in materials science.

  • 出版日期2017-7-10