IsRNAcirc: 3D structure prediction of circular RNAs based on coarse-grained molecular dynamics simulation.

ABSTRACT: As an emerging class of RNA molecules, circular RNAs play pivotal roles in various biological processes, thereby determining their three-dimensional (3D) structure is crucial for a deep understanding of their biological significances. Similar to linear RNAs, the development of computational methods for circular RNA 3D structure prediction is challenging, especially considering the inherent flexibility and potentially long length of circular RNAs. Here, we introduce an extension of our previous IsRNA2 model, named IsRNAcirc, to enable circular RNA 3D structure predictions through coarse-grained molecular dynamics simulations. The workflow of IsRNAcirc consists of four main steps, including input preparation, end closure, structure prediction, and model refinement. Our results demonstrate th

SUBMITTER: Jiang H 

PROVIDER: S-EPMC11542809 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature