结蛋白:结构生物学中的领带礼仪
Knotted Proteins: Tie Etiquette in Structural Biology
摘要:
到目前为止,所有蛋白质结构中有一小部分是纠缠的。在过去的十年中,人们已经通过不同的方法,如结构表征、体外实验和具有不同复杂程度的蛋白质模型模拟,来理解这些打结蛋白质的性质以及它们自然折叠过程的原因和方式。这些模型中最简单的是格构Gōs模型,它属于基于结构的模型,即,通过显式地包括结构数据而偏向于原生结构的模型。在这篇评论中,我们强调了在格点Gōs模型范围内对该领域所做的贡献,将它们放在主要实验和理论结果以及其他更现实的计算方法的背景下来看待。
英文摘要:
A small fraction of all protein structures characterized so far are entangled. The challenge of understanding the properties of these knotted proteins, and the why and the how of their natural folding process, has been taken up in the past decade with different approaches, such as structural characterization, in vitro experiments, and simulations of protein models with varying levels of complexity. The simplest among these are the lattice Gō models, which belong to the class of structure-based models, i.e., models that are biased to the native structure by explicitly including structural data. In this review we highlight the contributions to the field made in the scope of lattice Gō models, putting them into perspective in the context of the main experimental and theoretical results and of other, more realistic, computational approaches.
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