首页> 外文期刊>Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena >Poisson-Boltzmann model analysis of binding mRNA cap analogues to the translation initiation factor eIF4E.
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Poisson-Boltzmann model analysis of binding mRNA cap analogues to the translation initiation factor eIF4E.

机译:结合mRNA帽类似物与翻译起始因子eIF4E的Poisson-Boltzmann模型分析。

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摘要

The electrostatic free energy of binding of two analogues of the 5'-mRNA cap, differing in size and electric charge, to the wild type and mutated eukaryotic initiation factor eIF4E was computed using the finite difference solutions to the Poisson-Boltzmann equation. Two definitions of the solute-solvent dielectric boundary were used: van der Waals model, solvent exclusion (SE) model. The computed electrostatic energies were supplemented by estimations of the non polar and entropic contributions. A comparison with experimental data for the investigated systems was done. It appears that the SE model with additional contribution fits experimental findings better than the van der Waals model does.
机译:使用Poisson-Boltzmann方程的有限差分解计算了大小和电荷不同的5'-mRNA帽的两个类似物与野生型和突变的真核起始因子eIF4E结合的静电自由能。使用了溶质-溶剂介电边界的两种定义:van der Waals模型,溶剂排除(SE)模型。通过估计非极性和熵的贡献来补充计算出的静电能。与被调查系统的实验数据进行了比较。似乎具有额外贡献的SE模型比van der Waals模型更适合实验结果。

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