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首页> 外文期刊>Journal of applied statistics >Penalized multidimensional fitting for protein movement detection
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Penalized multidimensional fitting for protein movement detection

机译：惩罚性多维拟合用于蛋白质运动检测

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摘要

The three-dimensional structure of a given protein can take different conformations depending upon the reaction it undergoes and its substrate/cofactor/partners binding state. Various methods exist to study these conformational changes but only one, called DynDom, is clearly focused on movement detection. An alternative method is proposed, making use of multivariate data analysis, called penalized Multidimensional Fitting (penalized MDF)' based on penalized movements of points in order to approach the distances between points after movement to the distances given by the reference matrix. The objective is to detect the amino acids that undergo an important movement by fitting the distances of one conformation to the distances of the second one by modifying only the coordinates of the first one. This method is applied to three different proteins.
机译：给定蛋白质的三维结构可以采取不同的构型，具体取决于它所经历的反应及其底物/辅因子/伴侣的结合状态。研究这些构象变化的方法多种多样，但只有一种名为DynDom的方法显然专注于运动检测。提出了一种替代方法，该方法利用多变量数据分析，基于点的受罚运动，称为受罚多维拟合（penalized MDF）'，以使运动后的点之间距离接近参考矩阵给定的距离。目的是通过仅改变第一个构象的坐标来使一个构象的距离与第二个构象的距离相适应，从而检测经历重要运动的氨基酸。该方法适用于三种不同的蛋白质。

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