Investigation of histone-DNA binding energy as a function of DNA unwrapping from nucleosome using molecular modeling
Investigation of histone-DNA binding energy as a function of DNA unwrapping from nucleosome using molecular modeling
复制标题
使用分子模型研究组蛋白-DNA 结合能与核小体 DNA 解包函数的关系
DOI：
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发表时间：
2017
影响因子：
--
通讯作者：
A. Shaytan
中科院分区：
文献类型：
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作者：
A. Gribkova;G. Armeev;A. Shaytan
本研究有助于在核小体水平上理解细胞核中的DNA致密化。DNA和组蛋白之间的相互作用影响细胞生命的关键过程，包括复制和转录。这种相互作用可以用自由能曲线来描述。在本文中，我们计算了DNA解包过程中的自由能分布从组蛋白八聚体。使用MM/PBSA方法进行计算。计算结果与实验数据吻合较好。所获得的结果表明，适用于研究组蛋白和组蛋白变体的翻译后修饰对核小体能量的影响，这是重要的理解染色质中的转录调控机制的技术。
The present study contributes to the understanding of DNA compaction in the cell nucleus at the nucleosomal level. The interaction between DNA and histones affects key processes of cell life, including replication and transcription. This interaction can be described in terms of a free energy profile. In this paper, we calculated the free energy profile during DNA unwrapping from the histone octamer. The calculations were carried out using the MM/PBSA method. The calculated profiles are in good agreement with experimental data published earlier. The obtained results indicate the applicability of the technique for studying the effect of posttranslational modifications of histones and histone variants on nucleosome energy, which is important for understanding the mechanisms of transcriptional regulation in chromatin.
影响因子：
3.4
作者：
Guy, Andrew T.;Piggot, Thomas J.;Khalid, Syma
通讯作者：
Khalid, Syma
影响因子：
15
作者：
Zhang, Bin;Zheng, Weihua;Wolynes, Peter G.
通讯作者：
Wolynes, Peter G.