175. ATOMISTIC, COARSE-GRAINED, AND STATISTICAL MECHANICAL MODELING OF DYNAMIC DNA NANOSTRUCTURES
Name: Ze Shi
Grad Year: 2018
DNA nanotechnology takes advantage of specific base-pairing interactions to self-assemble DNA strands into 2D and 3D nanostructures with precise shapes of increasing complexity, ranging from smiley faces to gear parts. However, most of these structures are structurally rigid and their mechanical functionality has not been explored fully. Recently, a new class of DNA-based nanostructures have been developed that combine the structural rigidity of double-stranded (ds) DNA components with the flexibility of single-stranded (ss) DNA connections to yield dynamic structures with tunable mechanical properties. Here we present our recent efforts in modeling several of such dynamic DNA nanostructures at various scales relevant to their design and function. In particular, we discuss how atomistic, coarse-grained, and statistical-mechanics models are being used to provide new insights into the mechanical behavior of such nanostructures and to develop design rules for achieving dynamic structures with targeted actuation properties.