Comparison of the bending behavior of DNA origami Nano beam using the nonlinear theory method and steered molecular dynamics simulation

Article Type:
Research/Original Article (دارای رتبه معتبر)

In recent times, due to the rapid development of biological systems, the analysis and study of biological systems has become a hot topic. One of the most fundamental aspects of the study of these systems is the analysis of mechanical properties. In this article, the analysis of the bending behavior of the DNA origami cantilever beam has been investigated. The analysis of this behavior has been done using two important methods, steered molecular dynamics simulation and nonlinear theory. First, a model of a DNA origami beam is designed and modeled. Then, two different methods have been used to check the changes in the deflection in this beam. In the first method, the steered molecular dynamics simulation is used and the changes in deflection are evaluated. In the second method, by analyzing the nonlinear theory, the relationships related to large deformations in the DNA origami beam have been obtained. Finally, the variation of the deflection for this mode has also been specified using nonlinear theoretical relations. This article shows that the results of the two methods have a very good Validation, as a result, the use of the nonlinear theory method can be effective in the study of molecular dynamics in order to reduce computational and laboratory costs in the mechanical analysis of biological materials. Also, the nonlinear theory method can be of great importance for investigating the mechanical properties of biological systems for innovation in research related to the design and construction of these types of systems.

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