Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures.

Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures.
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氢键的介观模型参数化和从熔融温度中的RNA堆叠相互作用。

DOI:
10.1093/nar/gks964
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发表时间:
2013-01-07
影响因子:
14.9
通讯作者:
Weber G
Weber G
中科院分区:
生物学2区
文献类型:
--
作者:
Weber G

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通过使用介观统计物理模型,可以从实验解链温度数据中获得有关DNA中分子相互作用的信息。在这里,我们将该技术扩展到RNA,并表明新的参数正确地再现已知的属性,如更强的氢键的Au碱基对。我们还能够计算出所有10个最近邻(NN)不可约组合的完整弹性常数。我们相信,这是特别有用的,因为有关RNA弹性的实验信息相对较少。使用本模型的解链温度的预测改善了从传统的神经网络模型,从而提供了一种替代的方式来计算这些温度的RNA。此外,我们计算了位点依赖的碱基对振荡,以解释为什么RNA显示更大的振荡幅度,尽管有更强的Au氢键。
Information about molecular interactions in DNA can be obtained from experimental melting temperature data by using mesoscopic statistical physics models. Here, we extend the technique to RNA and show that the new parameters correctly reproduce known properties such as the stronger hydrogen bonds of AU base pairs. We also were able to calculate a complete set of elastic constants for all 10 irreducible combinations of nearest neighbours (NNs). We believe that this is particularly useful as experimentally derived information about RNA elasticity is relatively scarce. The melting temperature prediction using the present model improves over those from traditional NN model, providing thus an alternative way to calculate these temperatures for RNA. Additionally, we calculated the site-dependent base pair oscillation to explain why RNA shows larger oscillation amplitudes despite having stronger AU hydrogen bonds.
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