DeepMaT:结合Mamba2和多重注意机制预测靶肽分类和切割位点。

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL
Qianmao Wen,Aoyun Geng,Junlin Xu,Yajie Meng,Leyi Wei,Zilong Zhang,Quan Zou,Feifei Cui
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引用次数: 0

摘要

信号肽和传递肽对于引导成熟蛋白到达其适当的细胞位置至关重要,特别是通过转运后的裂解。尽管各种预测工具在识别和分类目标肽方面取得了很好的成绩,但它们在确定切割位点方面的准确性仍然有限。我们介绍了深度学习模型DeepMaT,该模型集成了Mamba2和多头自注意机制,利用了Mamba2的全局建模能力和自我注意的局部焦点。实验结果表明,DeepMaT在切割位点预测方面明显优于最先进的模型,对类囊体转运肽的预测精度达到0.867,对其他肽的预测也表现良好。此外,DeepMaT可以准确地学习真实样本的氨基酸分布。烧蚀实验表明,曼巴和注意机制的结合可以提高模型效率,进一步证明了结合的有效性。它还可以预测具有未指定切割位点的靶向肽,为蛋白质数据库注释提供有价值的工具。DeepMaT可以在GitHub上免费获得:https://github.com/qianmao2001/DeepMaT。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
DeepMaT: Prediction of Target Peptide Classification and Cleavage Site by Combining Mamba2 and Multiple Attention Mechanisms.
Signal peptides and transit peptides are essential for directing mature proteins to their proper cellular locations, particularly through cleavage following transport. Although various prediction tools achieve strong performance in identifying and classifying targeting peptides, their accuracy in determining cleavage sites remains limited. We introduce DeepMaT, a deep learning model that integrates Mamba2 and a multihead self-attention mechanism, leveraging the global modeling capabilities of Mamba2 and the localized focus of self-attention. Experimental results show that DeepMaT significantly outperforms state-of-the-art models in cleavage site prediction, achieving an accuracy of 0.867 for thylakoid transit peptides and also performing well on other peptides. Moreover, DeepMaT can accurately learn the amino acid distribution of real samples. Ablation experiments show that the combination of Mamba and attention mechanisms can improve model efficiency, further proving the effectiveness of the combination. It also enables prediction of targeting peptides with unspecified cleavage sites, offering a valuable tool for protein database annotation. DeepMaT is freely available on GitHub at https://github.com/qianmao2001/DeepMaT.
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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