BiORSEO: A bi-objective method to predict RNA secondary structures with pseudoknots using RNA 3D modules

Abstract

Motivation: RNA loops have been modelled and clustered from solved 3D structures into ordered collections of recurrent non-canonical interactions called 'RNA modules', available in databases. This work explores what information from such modules can be used to improve secondary structure prediction. We propose a bi-objective method for predicting RNA secondary structures by minimizing both an energy-based and a knowledge-based potential. The tool, called BiORSEO, outputs secondary structures corresponding to the optimal solutions from the Pareto set. Results: We compare several approaches to predict secondary structures using inserted RNA modules information: Two module data sources, Rna3Dmotif and the RNA 3D Motif Atlas, and different ways to score the module insertions: module size, module complexity or module probability according to models like JAR3D and BayesPairing. We benchmark them against a large set of known secondary structures, including some state-of-The-Art tools, and comment on the usefulness of the half physics-based, half data-based approach.