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大背景,更深刻的见解:利用大语言模型推动蛋白质-蛋白质相互作用分析

Large Context, Deeper Insights: Harnessing Large Language Models for Advancing Protein-Protein Interaction Analysis.

作者信息

U Kaicheng, Zhang Sophia Meixuan, Pokharel Suresh, Pratyush Pawel, Qaderi Farah, Liu Dongfang, Zhao Junhan, Kc Dukka B, Chen Siwei

机构信息

Tri-Institutional Computational Biology & Medicine, Weill Cornell Medicine, New York, NY, USA.

Department of Computational Oncology, Memorial Sloan Kettering Cancer Center, New York, NY, USA.

出版信息

Methods Mol Biol. 2025;2941:243-267. doi: 10.1007/978-1-0716-4623-6_15.

DOI:10.1007/978-1-0716-4623-6_15
PMID:40601262
Abstract

Protein-protein interactions (PPIs) are involved in nearly all biological processes. Understanding and analysis of PPI is key to revealing biological networks and identifying new therapeutic targets. Various computational approaches have been proposed as an alternative to the experimental investigation of PPIs. More recently, with the advent of Large Language Models (LLMs), a plethora of approaches using LLMs have been developed, enabling efficient analysis of interaction networks and binding sites directly from protein sequences. These models capture intricate biological patterns, offering scalability and adaptability across diverse datasets. However, challenges remain, including computational costs, data imbalance, and the integration of multimodal information. Advancements in addressing these limitations are set to further enhance the potential of LLMs in protein-protein interaction analysis, driving deeper insights and broader applications in biological research.

摘要

蛋白质-蛋白质相互作用(PPI)几乎涉及所有生物过程。对PPI的理解和分析是揭示生物网络和识别新治疗靶点的关键。已经提出了各种计算方法作为PPI实验研究的替代方法。最近,随着大语言模型(LLM)的出现,已经开发了大量使用LLM的方法,能够直接从蛋白质序列高效分析相互作用网络和结合位点。这些模型捕捉复杂的生物模式,在不同数据集上具有可扩展性和适应性。然而,挑战仍然存在,包括计算成本、数据不平衡以及多模态信息的整合。在解决这些限制方面的进展将进一步提高LLM在蛋白质-蛋白质相互作用分析中的潜力,推动在生物学研究中获得更深入的见解和更广泛的应用。

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本文引用的文献

1
Using deep learning and large protein language models to predict protein-membrane interfaces of peripheral membrane proteins.利用深度学习和大型蛋白质语言模型预测外周膜蛋白的蛋白质-膜界面。
Bioinform Adv. 2024 May 28;4(1):vbae078. doi: 10.1093/bioadv/vbae078. eCollection 2024.
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MIPPIS: protein-protein interaction site prediction network with multi-information fusion.MIPPIS:一种融合多源信息的蛋白质相互作用位点预测网络。
BMC Bioinformatics. 2024 Nov 4;25(1):345. doi: 10.1186/s12859-024-05964-7.
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A pathology foundation model for cancer diagnosis and prognosis prediction.
用于癌症诊断和预后预测的病理基础模型。
Nature. 2024 Oct;634(8035):970-978. doi: 10.1038/s41586-024-07894-z. Epub 2024 Sep 4.
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Fine-tuning protein language models boosts predictions across diverse tasks.微调蛋白质语言模型可提高跨多种任务的预测能力。
Nat Commun. 2024 Aug 28;15(1):7407. doi: 10.1038/s41467-024-51844-2.
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Protein-Protein Interaction Prediction Model Based on ProtBert-BiGRU-Attention.基于ProtBert-BiGRU-注意力机制的蛋白质-蛋白质相互作用预测模型
J Comput Biol. 2024 Sep;31(9):797-814. doi: 10.1089/cmb.2023.0297. Epub 2024 Jul 29.
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Profiling protein-protein interactions to predict the efficacy of B-cell-lymphoma-2-homology-3 mimetics for acute myeloid leukaemia.分析蛋白质-蛋白质相互作用,预测 B 细胞淋巴瘤-2 同源物-3 模拟物对急性髓系白血病的疗效。
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Democratizing protein language models with parameter-efficient fine-tuning.参数高效微调:用民主化方法对蛋白质语言模型进行优化。
Proc Natl Acad Sci U S A. 2024 Jun 25;121(26):e2405840121. doi: 10.1073/pnas.2405840121. Epub 2024 Jun 20.
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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.
9
Using protein language models for protein interaction hot spot prediction with limited data.利用蛋白质语言模型对有限数据进行蛋白质相互作用热点预测。
BMC Bioinformatics. 2024 Mar 16;25(1):115. doi: 10.1186/s12859-024-05737-2.
10
xCAPT5: protein-protein interaction prediction using deep and wide multi-kernel pooling convolutional neural networks with protein language model.xCAPT5:使用深度和广泛的多核池卷积神经网络与蛋白质语言模型进行蛋白质-蛋白质相互作用预测。
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