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计算化学家面临的RNA挑战。

RNA challenges for computational chemists.

作者信息

Yildirim Ilyas, Turner Douglas H

机构信息

Department of Physics and Astronomy, University of Rochester, Rochester, New York 14627, USA.

出版信息

Biochemistry. 2005 Oct 11;44(40):13225-34. doi: 10.1021/bi051236o.

DOI:10.1021/bi051236o
PMID:16201748
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3738067/
Abstract

Some experimental results for the thermodynamics of RNA folding cannot be explained by simple pairwise hydrogen-bonding models. Such effects include the stabilities of isoguanosine-isocytidine (iG-iC) base pairs and of various 2 x 2 nucleotide internal loops. Presumably, these results can be explained by base stacking effects, which can be partitioned into Coulombic and overlap effects. We review experimental measurements that provide benchmarks for testing the approximations and theories used for modeling nucleic acids. Quantitative agreement between experiment and theory will indicate understanding of the interactions determining RNA stability and structure.

摘要

一些关于RNA折叠热力学的实验结果无法用简单的成对氢键模型来解释。这些效应包括异鸟苷-异胞苷(iG-iC)碱基对以及各种2×2核苷酸内环的稳定性。据推测,这些结果可以用碱基堆积效应来解释,碱基堆积效应可分为库仑效应和重叠效应。我们回顾了一些实验测量,这些测量为测试用于核酸建模的近似方法和理论提供了基准。实验与理论之间的定量一致性将表明对决定RNA稳定性和结构的相互作用有了理解。

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Factors Contributing to Aromatic Stacking in Water: Evaluation in the Context of DNA.水中芳香堆积的影响因素:在DNA背景下的评估
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