Numerical modeling of the mechanics of the interaction of DNA nucleotides

Abstract

The telomere plays an important role to protect chromosomes from interaction with surrounding media as well as its length can be an important factor for the age prediction of an individual. Therefore, fundamental research remains relevant. The given investigation provides a numerical experiment from the mechanics perspective. By applying the DEM, the dynamics of a simplified telomere nucleotide interaction is presented. The applied knowledge is considered from previous investigations where numerical modeling of the dynamics of the interaction of ultrafine objects was analyzed. The nucleotides interaction is modeled based on a Lennard-Jones potential, while for the force-distance relation the presented equations are integrated in time, giving values of distance and velocity in dependence on time. The work outlines the ability to consider the acting force values between nucleotides, taken from known physical experiments on forces. A comparison of different nucleotides interaction, with A/T as well as G/C is also given.