RNA 3D structure modeling by fragment assembly with small-angle X-ray scattering restraints

Structure determination is a key step in the functional characterization of many non-coding RNA molecules. High-resolution RNA 3D structure determination efforts, however, are not keeping up with the pace of discovery of new non-coding RNA sequences. This increases the importance of computational approaches and low-resolution experimental data, such as from the small-angle X-ray scattering experiments. We present RNA Masonry, a computer program and a web service for a fully automated modeling of RNA 3D structures. It assemblies RNA fragments into geometrically plausible models that meet user-provided secondary structure constraints, restraints on tertiary contacts, and small-angle X-ray scattering data. We illustrate the method description with detailed benchmarks and its application to structural studies of viral RNAs with SAXS restraints.

Automated summary

RNA Masonry is a computer program and web service that automates the process of modeling RNA 3D structures. It assembles RNA fragments into plausible models that meet user-provided constraints and small-angle X-ray scattering data. The method is illustrated with benchmarks and its application to structural studies of viral RNAs with SAXS restraints.