aRNAque: an evolutionary algorithm for inverse pseudoknotted RNA folding inspired by Lévy flights

Author:

Merleau Nono S. C.ORCID,Smerlak Matteo

Abstract

Abstract Background We study in this work the inverse folding problem for RNA, which is the discovery of sequences that fold into given target secondary structures. Results We implement a Lévy mutation scheme in an updated version of an evolutionary inverse folding algorithm and apply it to the design of RNAs with and without pseudoknots. We find that the Lévy mutation scheme increases the diversity of designed RNA sequences and reduces the average number of evaluations of the evolutionary algorithm. Compared to , CPU time is higher but more successful in finding designed sequences that fold correctly into the target structures. Conclusion We propose that a Lévy flight offers a better standard mutation scheme for optimizing RNA design. Our new version of is available on GitHub as a python script and the benchmark results show improved performance on both and the datasets, compared to existing inverse folding tools.

Funder

Alexander von Humboldt Foundation in the framework of the Sofja Kovalevskaja Award endowed by the German Federal Ministry of Education and Research

Max Planck Institute for Mathematics in the Sciences

Publisher

Springer Science and Business Media LLC

Subject

Applied Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Structural Biology

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