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.
The role of directional interactions in the designability of generalized heteropolymers / Cardelli, C.; Bianco, V.; Rovigatti, L.; Nerattini, F.; Tubiana, L.; Dellago, C.; Coluzza, I.. - In: SCIENTIFIC REPORTS. - ISSN 2045-2322. - 7:1(2017), p. 4986. [10.1038/s41598-017-04720-7]
The role of directional interactions in the designability of generalized heteropolymers
Tubiana L.;
2017-01-01
Abstract
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.| File | Dimensione | Formato | |
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The role of directional.pdf
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