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AutoRNA: RNA tertiary structure prediction using variational autoencoder.

Kazanskii, M. A.; Uroshlev, L.; Zatylkin, F.; Pospelova, I.; Kantidze, O.; Gankin, Y.

2025-08-16 bioinformatics
10.1101/2024.06.18.599511 bioRxiv
Show abstract

Understanding the tertiary structure of RNA is essential for advancing therapeutic development and vaccine design. Traditional methods, such as dynamic simulations, have been employed to study RNA structure, but often struggle to capture the complex, non-linear relationships within RNA sequences. Many previous approaches have relied on simpler models, which limited their performance. The scarcity of data is a key challenge in predicting the tertiary structure of RNA. Therefore, herein we introduce a variational autoencoder (VAE), AutoRNA, that achieves a root mean square error (RMSE) of approximately 4.5 [A] in predicting nucleotide positions.

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