Prediction and control in DNA nanotechnology

M DeLuca, S Sensale, PA Lin, G Arya - ACS applied bio materials, 2023 - ACS Publications
DNA nanotechnology is a rapidly develo** field that uses DNA as a building material for
nanoscale structures. Key to the field's development has been the ability to accurately …

Models and simulations of structural DNA nanotechnology reveal fundamental principles of self-assembly

A Cumberworth, A Reinhardt - Chemical Society Reviews, 2025 - pubs.rsc.org
DNA is not only a centrally important molecule in biology: the specificity of bonding that
allows it to be the primary information storage medium for life has also allowed it to become …

Multifunctional clip strand for the regulation of DNA strand displacement and construction of complex DNA nanodevices

L Liu, Q Hu, W Zhang, W Li, W Zhang, Z Ming, L Li… - ACS …, 2021 - ACS Publications
Strand displacement reactions are important bricks for the construction of various DNA
nanodevices, among which the toehold-mediated strand displacement reaction is the most …

A computational model for structural dynamics and reconfiguration of DNA assemblies

JY Lee, H Koh, DN Kim - Nature Communications, 2023 - nature.com
Recent advances in constructing a structured DNA assembly whose configuration can be
dynamically changed in response to external stimuli have demanded the development of an …

Hairygami: Analysis of DNA Nanostructures' Conformational Change Driven by Functionalizable Overhangs

M Sample, H Liu, T Diep, M Matthies, P Šulc - ACS nano, 2024 - ACS Publications
DNA origami is a widely used method to construct nanostructures by self-assembling
designed DNA strands. These structures are often used as “pegboards” for templated …

Coarse-Grained Molecular Simulation of Bolapolyphiles with a Multident Lateral Chain: Formation and Structural Analysis of Cubic Network Phases

Y Sun, FA Escobedo - Journal of Chemical Theory and …, 2023 - ACS Publications
Bolapolyphiles constitute a versatile class of materials with a demonstrated potential to form
a wide variety of complex ordered mesophases. In particular, cubic network phases (like the …

Probing the mechanical properties of DNA nanostructures with metadynamics

WT Kaufhold, W Pfeifer, CE Castro, L Di Michele - ACS nano, 2022 - ACS Publications
Molecular dynamics simulations are often used to provide feedback in the design workflow
of DNA nanostructures. However, even with coarse-grained models, the convergence of …

The oxDNA coarse-grained model as a tool to simulate DNA origami

JPK Doye, H Fowler, D Prešern, J Bohlin… - DNA and RNA Origami …, 2023 - Springer
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Steric communication between dynamic components on DNA nanodevices

Y Wang, S Sensale, M Pedrozo, CM Huang… - ACS …, 2023 - ACS Publications
Biomolecular nanotechnology has helped emulate basic robotic capabilities such as defined
motion, sensing, and actuation in synthetic nanoscale systems. DNA origami is an attractive …

Characterizing the free-energy landscapes of DNA origamis

CK Wong, C Tang, JS Schreck, JPK Doye - Nanoscale, 2022 - pubs.rsc.org
We show how coarse-grained modelling combined with umbrella sampling using distance-
based order parameters can be applied to compute the free-energy landscapes associated …