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First-principles design of nanomachines.


ABSTRACT: Learning from nature's amazing molecular machines, globular proteins, we present a framework for the predictive design of nanomachines. We show that the crucial ingredients for a chain molecule to behave as a machine are its inherent anisotropy and the coupling between the local Frenet coordinate reference frames of nearby monomers. We demonstrate that, even in the absence of heterogeneity, protein-like behavior is obtained for a simple chain molecule made up of just 30 hard spheres. This chain spontaneously switches between 2 distinct geometries, a single helix and a dual helix, merely because of thermal fluctuations.

SUBMITTER: Banavar JR 

PROVIDER: S-EPMC2678487 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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First-principles design of nanomachines.

Banavar Jayanth R JR   Cieplak Marek M   Hoang Trinh Xuan TX   Maritan Amos A  

Proceedings of the National Academy of Sciences of the United States of America 20090409 17


Learning from nature's amazing molecular machines, globular proteins, we present a framework for the predictive design of nanomachines. We show that the crucial ingredients for a chain molecule to behave as a machine are its inherent anisotropy and the coupling between the local Frenet coordinate reference frames of nearby monomers. We demonstrate that, even in the absence of heterogeneity, protein-like behavior is obtained for a simple chain molecule made up of just 30 hard spheres. This chain  ...[more]

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