Influence of molecular flexibility on DNA radiosensitivity: a simulation study.
Influence of molecular flexibility on DNA radiosensitivity: a simulation study.
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分子柔性对 DNA 放射敏感性的影响：模拟研究。
DOI：
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发表时间：
2000
期刊：
影响因子：
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通讯作者：
G. Kneller
中科院分区：
文献类型：
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作者：
D. Viduna;K. Hinsen;G. Kneller
DNA中的辐射损伤主要是由水中的电离辐射和从DNA链上去除氢原子而产生的羟基自由基引起的。由于DNA链局部结构的差异，这种损伤对某些核苷酸序列的影响比对其他核苷酸序列的影响更大。这种序列依赖性已被实验分析和理论计算的刚性DNA模型。在本文中，我们考虑到DNA链的灵活性，并显示它如何修改链断裂概率。我们使用一个简单的谐波模型的DNA的灵活性，它允许一个长（68碱基对）的片段与适度的计算工作的研究。柔韧性的本质影响是增加了碎片末端的断裂概率，这也可以在实验数据中确定。
Radiation damage in DNA is caused mainly by hydroxyl radicals which are generated by ionizing radiation in water and removing hydrogen atoms from the DNA chain. This damage affects certain nucleotide sequences more than others due to differences in the local structure of the DNA chains. This sequence dependence has been analyzed experimentally and calculated theoretically for a rigid DNA model. In this paper we take into account the flexibility of the DNA chain and show how it modifies the strand breakage probabilities. We use a simple harmonic model for DNA flexibility which permits the study of a long (68 base pair) fragment with modest computational effort. The essential influence of flexibility is an increased breakage probability towards the ends of the fragment, which can also be identified in the experimental data.