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AF: Small: Collaborative Research: Cell Signaling Hypergraphs: Algorithms and Applications

AF：小：协作研究：细胞信号超图：算法和应用

基本信息

批准号：
1617678
负责人：
Th Murali
金额：
$ 28.8万
依托单位：
Virginia Polytechnic Institute and State University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2016
资助国家：
美国
起止时间：
2016-08-15 至 2021-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1617678&HistoricalAwards=false
关键词：
AF Small Collaborative Research Cell

项目摘要

Proteins in the living cell interact with each other in complex ways. Graphs have emerged as a natural way to represent these interactions. In a conventional graph representation, a node represents a protein and an edge represents an interaction between two proteins. Although such graphs have been in widespread use for many years, they do not accurately capture important features of protein interactions, such as proteins that operate in groups called complexes, reactions involving such complexes that may have more than two reactants and products, as well as the influence of other proteins whose presence can regulate reactions. This project will develop a new representation called signaling hypergraphs that naturally describes the relationships between multiple groups of proteins as complexes, reactants, products, and regulators. Furthermore, the project will develop novel algorithms for fundamental computational challenges in the analysis of signaling hypergraphs, and apply this new representation and these algorithms to widely-used databases of cellular reactions. The project will actively involve undergraduate students in research by recruiting them through the Virginia Tech Initiative to Maximize Student Diversity, and the Virginia Tech Undergraduate Research in Computer Science program. Students will engage in multiple semesters of research with the goal of ultimately leading their own individual projects, and obtaining co-authorship in publications. In this way the project will expose students to how computational thinking plays a major role in modern molecular biology, thereby meeting an important goal of STEM education. This project focuses on developing algorithms for the analysis of cell signaling hypergraphs. Aim 1 focuses on methods for generating products efficiently by finding short paths through signaling hypergraphs, while accounting for feedback loops and reaction regulators. Aim 2 develops algorithms for discovering missing proteins, complexes, and reactions in a signaling pathway. Finally, Aim 3 will release open-source software implementing the algorithms for signaling hypergraphs developed in this project.

活细胞中的蛋白质以复杂的方式相互作用。图表已经成为表示这些交互的一种自然方式。在传统的图形表示中，节点表示蛋白质，边表示两个蛋白质之间的相互作用。尽管这样的图表已经被广泛使用了很多年，但它们并不能准确地捕捉蛋白质相互作用的重要特征，例如以称为复合体的基团操作的蛋白质，涉及可能有两个以上反应物和产物的此类复合体的反应，以及其他蛋白质的影响，这些蛋白质的存在可以调节反应。这个项目将开发一种称为信号超图的新表示法，它自然地描述了多组蛋白质之间的关系，如复合体、反应物、产物和调节剂。此外，该项目将开发新的算法，以应对信号超图分析中的基本计算挑战，并将这种新的表示法和这些算法应用于广泛使用的细胞反应数据库。该项目将通过弗吉尼亚理工大学最大限度地提高学生多样性倡议和弗吉尼亚理工大学计算机科学本科生研究计划招募本科生参与研究。学生将参与多个学期的研究，目标是最终领导他们自己的个人项目，并在出版物上获得共同作者资格。通过这种方式，该项目将使学生了解计算思维如何在现代分子生物学中发挥重要作用，从而实现STEM教育的一个重要目标。该项目致力于开发用于分析细胞信号超图的算法。目标1集中在通过信号超图寻找最短路径，同时考虑反馈回路和反应调节器来有效地生成产品的方法。目标2开发了发现信号通路中缺失的蛋白质、复合体和反应的算法。最后，Aim 3将发布实现本项目中开发的超图信号发送算法的开源软件。