蛋白质接触网络分析工具PCN-Miner的设计与开发
Design and Development of PCN-Miner: A tool for the Analysis of Protein Contact Networks
摘要：
蛋白质接触网络（PCN）是分析蛋白质结构和功能的有力工具。特别地，PCN已被用于通过PCN聚类来揭示变构调节的分子特征。这种分析在许多应用中是相关的，例如最近对SARS-CoV-2刺突蛋白的研究。尽管其相关性，PCN的分析方法被传播到一组不同的库和工具。因此，引入一个包含所有功能的工具可能会帮助研究人员。我们提出了PCN-Miner，一个用Python编程语言实现的软件工具，能够以蛋白质数据库格式导入蛋白质并生成相应的蛋白质接触网络。然后，它提供了一套算法的PCS，涵盖了大量的应用程序的分析：从聚类嵌入和后续的分析。软件可从\url{https://github.com/hguzzi/ProteinContactNetworks}获得
英文摘要：
Protein Contact Network (PCN) is a powerful tool for analysing the structure and function of proteins. In particular, PCN has been used for disclosing the molecular features of allosteric regulation through PCN clustering. Such analysis is relevant in many applications, such as the recent study of SARS-CoV-2 Spike Protein. Despite its relevance, methods for the analysis of PCN are spread into a set of different libraries and tools. Therefore, the introduction of a tool that incorporates all the function may help researchers. We present PCN-Miner a software tool implemented in the Python programming language able to import protein in the Protein Data Bank format and generate the corresponding protein contact network. Then it offers a set of algorithms for the analysis of PCS that cover a large set of applications: from clustering to embedding and subsequent analysis. Software is available at \url{https://github.com/hguzzi/ProteinContactNetworks}
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