gRNAde: Geometric Deep Learning for 3D RNA inverse design

arXiv:2305.14749v4 Announce Type: replace
Abstract: Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D geometry and conformational diversity. We introduce gRNAde, a geometric RNA design pipeline operating on 3D RNA backbones to design sequences that explicitly account for structure and dynamics. Under the hood, gRNAde is a multi-state Graph Neural Network that generates candidate RNA sequences conditioned on one or more 3D backbone structures …

arxiv cs.lg deep learning design q-bio.bm q-bio.qm rna type