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GTE-PPIS:一种基于图变换器和等变图神经网络的蛋白质-蛋白质相互作用位点预测器。

GTE-PPIS: a protein-protein interaction site predictor based on graph transformer and equivariant graph neural network.

作者信息

Wang Xun, Han Tongyu, Feng Runqiu, Xia Zhijun, Wang Hanyu, Yu Wenqian, Dai Huanhuan, Song Haonan, Song Tao

机构信息

Shandong Key Laboratory of Intelligent Oil & Gas Industrial Software, Qingdao Institute of Software, College of Computer Science and Technology, China University of Petroleum (East China), Qingdao 266580, Shandong, China.

出版信息

Brief Bioinform. 2025 May 1;26(3). doi: 10.1093/bib/bbaf290.

DOI:10.1093/bib/bbaf290
PMID:40524427
Abstract

Protein-protein interactions (PPIs) play a critical role in cellular functions, which are essential for maintaining the proper physiological state of organisms. Therefore, identifying PPI sites with high accuracy is crucial. Recently, graph neural networks (GNNs) have achieved significant progress in predicting PPI sites, but there is still potential for further enhancement. In this study, we introduce GTE-PPIS, an innovative PPI site predictor that utilizes two components: a graph transformer and an equivariant GNN, to collaboratively extract features. These extracted features are subsequently processed through a multilayer perceptron to generate the final predictions. Our experimental results show that GTE-PPIS consistently outperforms existing methods on multiple evaluation metrics across benchmark datasets, strongly supporting the effectiveness of our approach.

摘要

蛋白质-蛋白质相互作用(PPIs)在细胞功能中起着关键作用,而细胞功能对于维持生物体的正常生理状态至关重要。因此,高精度识别PPIs位点至关重要。最近,图神经网络(GNNs)在预测PPIs位点方面取得了显著进展,但仍有进一步提升的潜力。在本研究中,我们引入了GTE-PPIS,这是一种创新的PPIs位点预测器,它利用两个组件:图变换器和等变GNN,来协同提取特征。随后,这些提取的特征通过多层感知器进行处理以生成最终预测。我们的实验结果表明,在基准数据集的多个评估指标上,GTE-PPIS始终优于现有方法,有力地支持了我们方法的有效性。

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本文引用的文献

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RGCNPPIS: A Residual Graph Convolutional Network for Protein-Protein Interaction Site Prediction.RGCNPPIS:一种用于蛋白质-蛋白质相互作用位点预测的残差图卷积网络。
IEEE/ACM Trans Comput Biol Bioinform. 2024 Nov-Dec;21(6):1676-1684. doi: 10.1109/TCBB.2024.3410350. Epub 2024 Dec 10.
2
AGAT-PPIS: a novel protein-protein interaction site predictor based on augmented graph attention network with initial residual and identity mapping.AGAT-PPIS:一种基于增强图注意网络的新型蛋白质-蛋白质相互作用位点预测器,具有初始残差和身份映射。
Brief Bioinform. 2023 May 19;24(3). doi: 10.1093/bib/bbad122.
3
Learning the protein language of proteome-wide protein-protein binding sites via explainable ensemble deep learning.
通过可解释的集成深度学习学习蛋白质组范围内蛋白质-蛋白质结合位点的蛋白质语言。
Commun Biol. 2023 Jan 19;6(1):73. doi: 10.1038/s42003-023-04462-5.
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ATFE-Net: Axial Transformer and Feature Enhancement-based CNN for ultrasound breast mass segmentation.ATFE-Net:用于超声乳腺肿块分割的基于轴向Transformer和特征增强的卷积神经网络
Comput Biol Med. 2023 Feb;153:106533. doi: 10.1016/j.compbiomed.2022.106533. Epub 2023 Jan 3.
5
HN-PPISP: a hybrid network based on MLP-Mixer for protein-protein interaction site prediction.HN-PPISP:一种基于MLP-Mixer的用于蛋白质-蛋白质相互作用位点预测的混合网络。
Brief Bioinform. 2023 Jan 19;24(1). doi: 10.1093/bib/bbac480.
6
ScanNet: an interpretable geometric deep learning model for structure-based protein binding site prediction.ScanNet:一种用于基于结构的蛋白质结合位点预测的可解释几何深度学习模型。
Nat Methods. 2022 Jun;19(6):730-739. doi: 10.1038/s41592-022-01490-7. Epub 2022 May 30.
7
DeepMC-iNABP: Deep learning for multiclass identification and classification of nucleic acid-binding proteins.深度MC-iNABP:用于核酸结合蛋白多类识别和分类的深度学习
Comput Struct Biotechnol J. 2022 Apr 26;20:2020-2028. doi: 10.1016/j.csbj.2022.04.029. eCollection 2022.
8
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