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

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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.