RiboDiffusion: tertiary structure-based RNA inverse folding with generative diffusion models

Han Huang, Ziqian Lin, Dongchen He, Liang Hong, Yu Li

Abstract: RNA design shows growing applications in synthetic biology and therapeutics, driven by the crucial role of RNA in various biological processes. A fundamental challenge is to find functional RNA sequences that satisfy given structural constraints, known as the inverse folding problem. Computational approaches have emerged to address this problem based on secondary structures. However, designing RNA sequences directly from 3D structures is still challenging, due to the scarcity of data, the nonunique structure-sequence mapping, and the flexibility of RNA conformation.