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The role of directional interactions in the designability of generalized heteropolymers.


ABSTRACT: Heteropolymers 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.

SUBMITTER: Cardelli C 

PROVIDER: S-EPMC5504045 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature

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The role of directional interactions in the designability of generalized heteropolymers.

Cardelli Chiara C   Bianco Valentino V   Rovigatti Lorenzo L   Nerattini Francesca F   Tubiana Luca L   Dellago Christoph C   Coluzza Ivan I  

Scientific reports 20170710 1


Heteropolymers 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 c  ...[more]

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