Bulletin of the American Physical Society
APS March Meeting 2018
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session L60: Poster Session II
Wednesday, March 7, 2018
LACC Room: West Hall A
Abstract: L60.00255 : Coarse-Grained and Statistical Mechanical Modeling of Dynamic, Mechanically Compliant DNA Hinges
(NanoEngineering, University of California, San Diego)
(Mechanical Engineering, Ohio State University)
(Mechanical Engineering and Materials Science, Duke University)
Structural DNA nanotechnology takes advantage of base-pairing interactions to assemble DNA strands into rigid 2D and 3D nanostructures of exquisite geometries and complexity. Recently, this approach has been used to design dynamic, mechanically-compliant DNA nanostructures by exploiting differences in the mechanical properties of single- and double-stranded DNA. Here, we use coarse-grained molecular dynamics simulations to provide some of the first insights into the conformational dynamics of a mechanically-compliant nanostructure, a DNA origami hinge recently designed and studied experimentally. We show that the simulations can accurately reproduce the experimentally measured equilibrium angles between hinge arms for a range of hinge designs. The simulations also reveal important insights into the structural and mechanical properties of the hinges that are challenging to obtain experimentally. We also introduce a novel approach for rapidly predicting equilibrium hinge conformations based on the force-deformation characteristics of its components. Lastly, we present a statistical-mechanical model for describing salt-triggered actuation that is currently being used to guide ongoing experimental efforts towards designing DNA hinge-based actuators.
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