Modelling and structural investigation of a new DNA Origami based flexible bio-nano joint

ABSTRACT

Bio-nano joints are important components in nano robotics as they facilitate the possibility of diverse movements of nano robot arms. In this study, a flexible bio-nano joint is designed and constructed through DNA Origami technique. Then, two virtual external forces were applied to the arms of the joint using steered molecular dynamics simulation in order to create the nano joint with the required angle. The designed DNA Origami nano joint must have the required stability in various environmental conditions; for this purpose, equilibrium molecular dynamics simulation of the joint was performed in three temperatures of 300, 310 and 320 K. The results showed that the proposed Bio-nano joint has a favourable stability. To examine the stability of the system quantitatively, the distance between the nano joint arms was thoroughly studied. The results showed that the overall shape of the nano joint is maintained at different temperatures. Also, the bending stiffness and deflection of these nano-joints in the final state were $0.492\times {10}^3\mathrm{p}\mathrm{N}\mathrm{n}{\mathrm{m}}^2$ and $1.4\mathrm{n}\mathrm{m}$, respectively, showing good agreement with the previously published researches. The results of this study show that the designed DNA origami-based bio-nano joint has a good potential to be used in nano robotics applications.

KEYWORDS:

• DNA Origami
• nano joint
• molecular dynamics simulation
• GROMACS software
• caDNAno software

Disclosure statement

No potential conflict of interest was reported by the author(s).

Compliance with ethical standards

This manuscript has not been submitted to, nor is under review at, another journal or other publishing venues.