Models to Approximate the Motions of Protein Loops.
Models to Approximate the Motions of Protein Loops.
复制标题
近似蛋白质环运动的模型。
DOI：
10.1021/ct1001413
复制
发表时间：
2010
影响因子：
5.5
通讯作者：
Kloczkowski,Andrzej
中科院分区：
文献类型：
--
作者：
Skliros,Aris;Jernigan,RobertL;Kloczkowski,Andrzej
我们使用粗粒模型和聚合物链的橡胶弹性理论来近似各种蛋白质的环运动。环被认为是链，其中只有其第一个和最后一个残基通过其与主结构的连接而被束缚，而在环内，环残基仅连接到其序列邻居。我们将这些近似模型应用于五种蛋白质。我们的近似表明，环路运动通常可以局部计算，这表明这些运动是鲁棒的，而不是随机的。但最有趣的是，这里提出的新方法可以用来计算结构中缺失的环的可能运动。
We approximate the loop motions of various proteins by using a coarse-grained model and the theory of rubberlike elasticity of polymer chains. The loops are considered as chains where only the first and the last residues thereof are tethered by their connections to the main structure, while, within the loop, the loop residues are connected only to their sequence neighbors. We applied these approximate models to five proteins. Our approximation shows that the loop motions can usually be computed locally which shows these motions are robust and not random. But most interestingly, the new method presented here can be used to compute the likely motions of loops that are missing in the structures.