Chromatosomes are fundamental units of chromatin structure that are formed when a linker histone protein binds to a nucleosome. The positioning of the linker histone on the nucleosome influences the packing of chromatin. Recent simulations and experiments have shown that chromatosomes adopt an ensemble of structures that differ in the geometry of the linker histone-nucleosome interaction. In this article we review the application of Brownian, Monte Carlo, and molecular dynamics simulations to predict the structure of linker histone-nucleosome complexes, to study the binding mechanisms involved, and to predict how this binding affects chromatin fiber structure. These simulations have revealed the sensitivityof the chromatosome structure to variations in DNA and linker histone sequence, as well as to posttranslational modifications, thereby explaining the structural variability observed in experiments. We propose that a concerted application of experimental and computational approaches will reveal the determinants of chromatosome structural variability and how it impacts chromatin packing.

中文翻译：

---

分子模拟的染色体结构和动力学。

染色体是染色质结构的基本单位，当接头组蛋白与核小体结合时形成。接头组蛋白在核小体上的定位影响染色质的堆积。最近的模拟和实验表明，染色体采用的结构整体在接头组蛋白-核小体相互作用的几何结构方面有所不同。在本文中，我们回顾了布朗，蒙特卡洛和分子动力学模拟在预测接头组蛋白-核小体复合物结构，研究所涉及的结合机制以及预测这种结合如何影响染色质纤维结构方面的应用。这些模拟揭示了染色体结构对DNA和接头组蛋白序列变异以及翻译后修饰的敏感性，从而解释了实验中观察到的结构变异性。我们建议，实验和计算方法的一致应用将揭示染色体结构变异性的决定因素及其对染色质堆积的影响。