BMC Bioinformatics. 2014;15 Suppl 15(Suppl 15):S6. doi: 10.1186/1471-2105-15-S15-S6. Epub 2014 Dec 3.
Measuring protein structural similarity attempts to establish a relationship of equivalence between polymer structures based on their conformations. In several recent studies, researchers have explored protein-graph remodeling, instead of looking a minimum superimposition for pairwise proteins. When graphs are used to represent structured objects, the problem of measuring object similarity become one of computing the similarity between graphs. Graph theory provides an alternative perspective as well as efficiency. Once a protein graph has been created, its structural stability must be verified. Therefore, a criterion is needed to determine if a protein graph can be used for structural comparison. In this paper, we propose a measurement for protein graph remodeling based on graph entropy. We extend the concept of graph entropy to determine whether a graph is suitable for representing a protein. The experimental results suggest that when applied, graph entropy helps a conformational on protein graph modeling. Furthermore, it indirectly contributes to protein structural comparison if a protein graph is solid.
测量蛋白质结构相似性旨在根据构象建立聚合物结构之间的等价关系。在最近的几项研究中，研究人员探索了蛋白质图重塑，而不是寻找两两蛋白质的最小叠加。当使用图形表示结构化对象时，测量对象相似性的问题就变成了计算图形之间的相似性。图论提供了另一种视角和效率。一旦创建了蛋白质图，就必须验证其结构稳定性。因此，需要一个标准来确定蛋白质图是否可用于结构比较。在本文中，我们提出了一种基于图熵的蛋白质图重塑测量方法。我们将图熵的概念扩展到确定一个图是否适合表示一个蛋白质。实验结果表明，在应用时，图熵有助于蛋白质图建模的构象。此外，如果蛋白质图稳定，它也会间接地促进蛋白质结构比较。
