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RNA 三维结构预测和建模领域的进展,包括纯理论方法和实验数据的应用。

Advances in the field of RNA 3D structure prediction and modeling, with purely theoretical approaches, and with the use of experimental data.

机构信息

Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology in Warsaw, ul. Ks. Trojdena 4, PL-02-109 Warsaw, Poland.

Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology in Warsaw, ul. Ks. Trojdena 4, PL-02-109 Warsaw, Poland.

出版信息

Structure. 2024 Nov 7;32(11):1860-1876. doi: 10.1016/j.str.2024.08.015. Epub 2024 Sep 24.

Abstract

Recent advancements in RNA three-dimensional (3D) structure prediction have provided significant insights into RNA biology, highlighting the essential role of RNA in cellular functions and its therapeutic potential. This review summarizes the latest developments in computational methods, particularly the incorporation of artificial intelligence and machine learning, which have improved the efficiency and accuracy of RNA structure predictions. We also discuss the integration of new experimental data types, including cryoelectron microscopy (cryo-EM) techniques and high-throughput sequencing, which have transformed RNA structure modeling. The combination of experimental advances with computational methods represents a significant leap in RNA structure determination. We review the outcomes of RNA-Puzzles and critical assessment of structure prediction (CASP) challenges, which assess the state of the field and limitations of existing methods. Future perspectives are discussed, focusing on the impact of RNA 3D structure prediction on understanding RNA mechanisms and its implications for drug discovery and RNA-targeted therapies, opening new avenues in molecular biology.

摘要

近年来,RNA 三维(3D)结构预测的进展为 RNA 生物学提供了重要的见解,强调了 RNA 在细胞功能中的重要作用及其治疗潜力。本文综述了计算方法的最新进展,特别是人工智能和机器学习的应用,这提高了 RNA 结构预测的效率和准确性。我们还讨论了新的实验数据类型的整合,包括冷冻电子显微镜(cryo-EM)技术和高通量测序,这些技术改变了 RNA 结构建模。实验进展与计算方法的结合代表了 RNA 结构测定的重大飞跃。我们回顾了 RNA-Puzzles 和结构预测评估(CASP)挑战的结果,这些结果评估了该领域的现状和现有方法的局限性。未来的展望集中在 RNA 3D 结构预测对理解 RNA 机制及其对药物发现和 RNA 靶向治疗的影响上,为分子生物学开辟了新的途径。

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