Computational methods and integrative approaches to predict 3D structures of large RNA molecules

预测大 RNA 分子 3D 结构的计算方法和综合方法

• 批准号: RGPIN-2015-03786
• 负责人: Waldispuhl, Jerome
• 金额: $ 2.62万
• 依托单位: McGill University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2017
• 资助国家: 加拿大
• 起止时间: 2017-01-01 至 2018-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=634892
• 关键词: Computational; methods; integrative; approaches; predict

Ribonucleic acids (RNAs) are versatile biomolecules that are involved a diverse number of biological functions. For example, as messenger RNA it encodes genes, as microRNA it regulates genes and as ribosomal RNA it translates genes. To achieve their non-coding functions, RNAs often use sophisticated structures that can be described at two levels. First, the secondary structure encompasses the maximal set of stem and stem-loops formed by canonical base-pairing interactions (Watson-Crick and Wobble). Then, these secondary structure elements are assembled together via numerous van der Waals contacts and specific hydrogen bonds into the tertiary (3D) structure. The description of the complete 3D structure is a milestone into the understanding the biological function of a RNA molecule. We propose to develop a robust computational framework to predict the 3D structure of large RNA molecules. Our proposal is articulated around 3 distinct modules, which will be conducted in collaboration with Canadian and international theoreticians and experimentalists.

核糖核酸（Ribonucleic acids，RNA）是一种具有多种生物学功能的生物分子。例如，作为信使RNA，它编码基因，作为微小RNA，它调节基因，作为核糖体RNA，它翻译基因。为了实现其非编码功能，RNA通常使用可以在两个水平上描述的复杂结构。首先，二级结构包括由典型碱基配对相互作用形成的茎和茎环的最大集合（沃森-克里克和沃布尔）。然后，这些二级结构元件通过大量的货车德瓦尔斯接触和特定的氢键组装在一起形成三级（3D）结构。对完整3D结构的描述是理解RNA分子生物学功能的里程碑。我们建议开发一个强大的计算框架来预测大RNA分子的3D结构。我们的建议是围绕3个不同的模块，这将与加拿大和国际理论家和实验学家合作进行。