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Modeling B–A Transformations of the DNA Double Helix

机译:模拟DNA双螺旋的B–A转化

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摘要

An approach to the description of DNA conformational transformations of B–A type is presented. Due to the consideration of joint motions of DNA structural elements the model for DNA transformation is constructed in the two-component form. One component is the degree of freedom of the elastic rod, and another component – the effective coordinate of the conformational transformation. In the model the internal and external components are interrelated, as it is characteristic for DNA B–A rearrangements. It is demonstrated that kinetic energy of the double helix transformations of heterogeneous DNA can be put in homogeneous form. In the frame of the developed approach the possible localized excitations in a static state are found to compare with the experiments on DNA B–A deformability. The comparison shows good qualitative agreement between theory and experiment. The conclusion is made that the found excitations in the DNA structure may be classified as static conformational solitons, and that such localized excitations may play the key role in the mechanisms of DNA intrinsic bending.
机译:介绍了一种描述B–A型DNA构象转化的方法。由于考虑到DNA结构元素的联合运动,因此以两组分形式构建了DNA转化模型。一个分量是弹性杆的自由度,另一个分量是构象转换的有效坐标。在该模型中,内部和外部组件是相互关联的,因为它是DNA B–A重排的特征。已经证明,异质DNA的双螺旋转化的动能可以以均质形式放置。在已开发方法的框架中,发现了静态下可能的局部激发,可以与DNA B–A形变实验进行比较。比较表明理论和实验之间有很好的定性一致性。得出的结论是,在DNA结构中发现的激发可以归类为静态构象孤子,并且这种局部激发可能在DNA内在弯曲的机制中起关键作用。

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