Di Paola Luisa, Mei Giampiero, Di Venere Almerinda, Giuliani Alessandro
Faculty of Engineering, Università CAMPUS BioMedico, Via A. del Portillo, 21, 00128, Italy.
Curr Protein Pept Sci. 2016;17(1):30-6. doi: 10.2174/1389203716666150923104054.
Protein homodimers pose some intriguing questions about the relation between structure and stability. We approached the problem by means of a topological methodology based on protein contact networks. We correlated local interface descriptors with structure and energy global properties of the systems under analysis. We demonstrated that the graph energy, formerly applied to the analysis of unconjugated hydrocarbons structures, is the bridge between the topological and energetic description of protein complexes. This is a first step for the generation of a "protein structural formula", analogous to the molecular graphs in organic chemistry.
蛋白质同二聚体对结构与稳定性之间的关系提出了一些有趣的问题。我们通过基于蛋白质接触网络的拓扑方法来解决这个问题。我们将局部界面描述符与所分析系统的结构和能量全局性质相关联。我们证明，以前应用于分析非共轭烃结构的图能量，是蛋白质复合物拓扑描述和能量描述之间的桥梁。这是生成类似于有机化学中分子图的“蛋白质结构式”的第一步。
