Biology subjects

Postic, G.

Publications and source records attributed to Postic, G..

4 recordsLinked to original sources

bioRxiv2024

Has AlphaFold~3 reached its success for RNAs?

Predicting the 3D structure of RNA is a significant challenge despite ongoing advancements in the field. Although AlphaFold has successfully addressed this problem for proteins, RNA structure prediction raises difficulties due to fundamental differences between proteins and RNAs, which hinder direct adaptation. The latest release of AlphaFold, AlphaFold 3, has broadened its scope to include multiple different molecules like DNA, ligands and RNA. While the article discusses the results of the last CASP-RNA dataset, the scope of performances and the limitations for RNAs are unclear. In this article, we provide a comprehensive analysis of the performances of AlphaFold 3 in the prediction of RNA 3D structures. Through an extensive benchmark over five different test sets, we discuss the performances and limitations of AlphaFold 3. We also compare its performances with ten existing state-of-the-art ab initio, template-based and deep-learning approaches. Our results are freely available on the EvryRNA platform: https://evryrna.ibisc.univ-evry.fr/evryrna/alphafold3/.

bioinformatics↗

bioRxiv2024

RNA-TorsionBERT: leveraging language models for RNA 3D torsion angles prediction

Predicting the 3D structure of RNA is an ongoing challenge that has yet to be completely addressed despite continuous advancements. RNA 3D structures rely on distances between residues and base interactions but also backbone torsional angles. Knowing the torsional angles for each residue could help reconstruct its global folding, which is what we tackle in this work. This paper presents a novel approach for directly predicting RNA torsional angles from raw sequence data. Our method draws inspiration from the successful application of language models in various domains and adapts them to RNA. We have developed a language-based model, RNA-TorsionBERT, incorporating better sequential interactions for predicting RNA torsional and pseudo-torsional angles from the sequence only. Through extensive benchmarking, we demonstrate that our method improves the prediction of torsional angles compared to state-of-the-art methods. In addition, by using our predictive model, we have inferred a torsion angle-dependent scoring function, called TB-MCQ, that replaces the true reference angles by our model prediction. We show that it accurately evaluates the quality of near-native predicted structures, in terms of RNA back-bone torsion angle values. Our work demonstrates promising results, suggesting the potential utility of language models in advancing RNA 3D structure prediction. Source code is freely available on the EvryRNA platform: https://evryrna.ibisc.univevry.fr/evryrna/RNA-TorsionBERT.

bioinformatics↗

bioRxiv2023

State-of-the-RNArt: benchmarking current methods for RNA 3D structure prediction

RNAs are essential molecules involved in numerous biological functions. Understanding RNA functions requires the knowledge of their 3D structures. Computational methods have been developed for over two decades to predict the 3D conformations from RNA sequences. These computational methods have been widely used and are usually categorised as either ab initio or template-based. The performances remain to be improved. Recently, the rise of deep learning has changed the sight of novel approaches. Deep learning methods are promising, but their adaptation to RNA 3D structure prediction remains difficult. In this paper, we give a brief review of the ab initio, template-based and novel deep learning approaches. We highlight the different available tools and provide a benchmark on nine methods using the RNA-Puzzles dataset. We provide an online dashboard that shows the predictions made by benchmarked methods, freely available on the EvryRNA platform: https://evryrna.ibisc.univ-evry.fr/evryrna/state_of_the_rnart/

bioinformatics↗

bioRxiv2023

RNAdvisor: a comprehensive benchmarking tool for the measure and prediction of RNA structural model quality

RNA is a complex macromolecule that plays central roles in the cell. While it is well-known that its structure is directly related to its functions, understanding and predicting RNA structures is challenging. Assessing the real or predictive quality of a structure is also at stake with the complex 3D possible conformations of RNAs. Metrics have been developed to measure model quality while scoring functions aim at assigning quality to guide the discrimination of structures without a known and solved reference. Throughout the years, many metrics and scoring functions have been developed, and no unique assessment is used nowadays. Each developed assessment method has its specificity and might be complementary to understanding structure quality. Therefore, to evaluate RNA 3D structure predictions, it would be important to calculate different metrics and/or scoring functions. For this purpose, we developed RNAdvisor, a comprehensive automated software that integrates and enhances the accessibility of existing metrics and scoring functions. In this paper, we present our RNAdvisor tool, as well as state-of-the-art existing metrics, scoring functions and a set of benchmarks we conducted for evaluating them. Source code is freely available on the EvryRNA platform: https://evryrna.ibisc.univ-evry.fr.

bioinformatics↗