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Comparing the intrinsic dynamics of multiple protein structures using elastic network models

机译:使用弹性网络模型比较多种蛋白质结构的内在动力学

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Background: Elastic network models (ENMs) are based on the simple idea that a protein can be described as a set of particles connected by springs, which can then be used to describe its intrinsic flexibility using, for example, normal mode analysis. Since the introduction of the first ENM by Monique Tirion in 1996, several variants using coarser protein models have been proposed and their reliability for the description of protein intrinsic dynamics has been widely demonstrated. Lately an increasing number of studies have focused on the meaning of slow dynamics for protein function and its potential conservation through evolution. This leads naturally to comparisons of the intrinsic dynamics of multiple protein structures with varying levels of similarity.
机译:背景技术:弹性网络模型(ENM)基于简单的思想,即蛋白质可以描述为一组通过弹簧连接的颗粒,然后可以使用其来描述其固有的灵活性,例如使用正常模式分析。自从1996年Monique Tirion引入第一个ENM以来,已经提出了使用较粗糙的蛋白质模型的几种变体,并且已经广泛证明了其在描述蛋白质内在动力学方面的可靠性。最近,越来越多的研究集中在蛋白质功能缓慢动力学的意义及其通过进化的潜在保护上。这自然可以比较相似程度不同的多种蛋白质结构的内在动力学。

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