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本文引用的文献

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CAPRI-Q: The CAPRI resource evaluating the quality of predicted structures of protein complexes.CAPRI-Q:用于评估蛋白质复合物预测结构质量的 CAPRI 资源。
J Mol Biol. 2024 Sep 1;436(17):168540. doi: 10.1016/j.jmb.2024.168540. Epub 2024 Mar 16.
2
Accurate structure prediction of biomolecular interactions with AlphaFold 3.利用 AlphaFold 3 进行生物分子相互作用的精确结构预测。
Nature. 2024 Jun;630(8016):493-500. doi: 10.1038/s41586-024-07487-w. Epub 2024 May 8.
3
Genome-scale annotation of protein binding sites via language model and geometric deep learning.通过语言模型和几何深度学习进行蛋白质结合位点的全基因组注释。
Elife. 2024 Apr 17;13:RP93695. doi: 10.7554/eLife.93695.
4
Protein language model-embedded geometric graphs power inter-protein contact prediction.蛋白质语言模型嵌入的几何图为蛋白质间相互作用预测提供动力。
Elife. 2024 Apr 2;12:RP92184. doi: 10.7554/eLife.92184.
5
Integrated modeling of protein and RNA.蛋白质与RNA的整合建模
Brief Bioinform. 2024 Mar 27;25(3). doi: 10.1093/bib/bbae139.
6
Prediction of protein-ligand binding affinity via deep learning models.通过深度学习模型预测蛋白质-配体结合亲和力。
Brief Bioinform. 2024 Jan 22;25(2). doi: 10.1093/bib/bbae081.
7
All-atom RNA structure determination from cryo-EM maps.基于冷冻电镜图谱的全原子RNA结构测定。
Nat Biotechnol. 2025 Jan;43(1):97-105. doi: 10.1038/s41587-024-02149-8. Epub 2024 Feb 23.
8
RNet: a network strategy to predict RNA binding preferences.RNet:一种用于预测 RNA 结合偏好的网络策略。
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Dynamic geometry design of cyclic peptide architectures for RNA structure.环状肽结构的动态几何设计用于 RNA 结构。
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用于RNA复合物结构和动态预测的人工智能集成网络。

AI-integrated network for RNA complex structure and dynamic prediction.

作者信息

Liu Haoquan, Zhuo Chen, Gao Jiaming, Zeng Chengwei, Zhao Yunjie

机构信息

Institute of Biophysics and Department of Physics, Central China Normal University, Wuhan 430079, China.

出版信息

Biophys Rev (Melville). 2024 Nov 5;5(4):041304. doi: 10.1063/5.0237319. eCollection 2024 Dec.

DOI:10.1063/5.0237319
PMID:39512332
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11540444/
Abstract

RNA complexes are essential components in many cellular processes. The functions of these complexes are linked to their tertiary structures, which are shaped by detailed interface information, such as binding sites, interface contact, and dynamic conformational changes. Network-based approaches have been widely used to analyze RNA complex structures. With their roots in the graph theory, these methods have a long history of providing insight into the static and dynamic properties of RNA molecules. These approaches have been effective in identifying functional binding sites and analyzing the dynamic behavior of RNA complexes. Recently, the advent of artificial intelligence (AI) has brought transformative changes to the field. These technologies have been increasingly applied to studying RNA complex structures, providing new avenues for understanding the complex interactions within RNA complexes. By integrating AI with traditional network analysis methods, researchers can build more accurate models of RNA complex structures, predict their dynamic behaviors, and even design RNA-based inhibitors. In this review, we introduce the integration of network-based methodologies with AI techniques to enhance the understanding of RNA complex structures. We examine how these advanced computational tools can be used to model and analyze the detailed interface information and dynamic behaviors of RNA molecules. Additionally, we explore the potential future directions of how AI-integrated networks can aid in the modeling and analyzing RNA complex structures.

摘要

RNA复合物是许多细胞过程中的重要组成部分。这些复合物的功能与其三级结构相关联,而三级结构是由详细的界面信息塑造的,如结合位点、界面接触和动态构象变化。基于网络的方法已被广泛用于分析RNA复合物结构。这些方法起源于图论,长期以来一直有助于深入了解RNA分子的静态和动态特性。这些方法在识别功能性结合位点和分析RNA复合物的动态行为方面很有效。最近,人工智能(AI)的出现给该领域带来了变革性变化。这些技术越来越多地应用于研究RNA复合物结构,为理解RNA复合物内的复杂相互作用提供了新途径。通过将人工智能与传统网络分析方法相结合,研究人员可以构建更准确的RNA复合物结构模型,预测其动态行为,甚至设计基于RNA的抑制剂。在这篇综述中,我们介绍了基于网络的方法与人工智能技术的整合,以加强对RNA复合物结构的理解。我们研究了如何使用这些先进的计算工具来建模和分析RNA分子的详细界面信息和动态行为。此外,我们还探讨了人工智能集成网络在帮助建模和分析RNA复合物结构方面未来可能的发展方向。