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Numerical modeling of the mechanics of the interaction of DNA nucleotides
Mechanics of Advanced Materials and Structures ( IF 3.6 ) Pub Date : 2020-08-18
Raimondas Jasevičius

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.



中文翻译:

DNA核苷酸相互作用机理的数值模拟

端粒在保护染色体免于与周围介质的相互作用中起着重要作用,并且其长度可能是预测个体年龄的重要因素。因此,基础研究仍然有意义。给出的研究从力学的角度提供了数值实验。通过应用DEM,呈现了简化的端粒核苷酸相互作用的动力学。从先前的研究中考虑了应用知识,在该研究中分析了超细物体相互作用动力学的数值模型。核苷酸相互作用基于Lennard-Jones势进行建模,而对于力-距离关系,所给出的方程式在时间上进行了积分,从而给出了与时间有关的距离和速度值。这项工作概述了考虑核苷酸之间作用力值的能力,这些能力取自已知的作用力物理实验。还给出了不同核苷酸与A / T和G / C相互作用的比较。

更新日期:2020-08-18
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