DeepPPThermo: A Deep Learning Framework for Predicting Protein Thermostability Combining Protein-Level and Amino Acid-Level Features.

IF 1.4 4区 生物学 Q4 BIOCHEMICAL RESEARCH METHODS Journal of Computational Biology Pub Date : 2024-02-01 Epub Date: 2023-12-13 DOI:10.1089/cmb.2023.0097
Xiaoyang Xiang, Jiaxuan Gao, Yanrui Ding
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引用次数: 0

Abstract

Using wet experimental methods to discover new thermophilic proteins or improve protein thermostability is time-consuming and expensive. Machine learning methods have shown powerful performance in the study of protein thermostability in recent years. However, how to make full use of multiview sequence information to predict thermostability effectively is still a challenge. In this study, we proposed a deep learning-based classifier named DeepPPThermo that fuses features of classical sequence features and deep learning representation features for classifying thermophilic and mesophilic proteins. In this model, deep neural network (DNN) and bi-long short-term memory (Bi-LSTM) are used to mine hidden features. Furthermore, local attention and global attention mechanisms give different importance to multiview features. The fused features are fed to a fully connected network classifier to distinguish thermophilic and mesophilic proteins. Our model is comprehensively compared with advanced machine learning algorithms and deep learning algorithms, proving that our model performs better. We further compare the effects of removing different features on the classification results, demonstrating the importance of each feature and the robustness of the model. Our DeepPPThermo model can be further used to explore protein diversity, identify new thermophilic proteins, and guide directed mutations of mesophilic proteins.

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DeepPPThermo:结合蛋白质级和氨基酸级特征预测蛋白质热稳定性的深度学习框架。
使用湿实验方法发现新的嗜热蛋白质或改善蛋白质的热稳定性既耗时又昂贵。近年来,机器学习方法在蛋白质耐热性研究中表现出了强大的性能。然而,如何充分利用多视角序列信息来有效预测热稳定性仍是一个挑战。在这项研究中,我们提出了一种基于深度学习的分类器,名为 DeepPPThermo,它融合了经典序列特征和深度学习表示特征,用于对嗜热蛋白质和中嗜热蛋白质进行分类。在该模型中,深度神经网络(DNN)和双长短期记忆(Bi-LSTM)被用来挖掘隐藏特征。此外,局部注意力和全局注意力机制对多视角特征赋予了不同的重要性。融合后的特征被输入一个全连接网络分类器,以区分嗜热蛋白质和嗜中蛋白质。我们的模型与先进的机器学习算法和深度学习算法进行了综合比较,证明我们的模型性能更好。我们进一步比较了去除不同特征对分类结果的影响,证明了每个特征的重要性和模型的鲁棒性。我们的 DeepPPThermo 模型可进一步用于探索蛋白质多样性、识别新的嗜热蛋白质以及指导中嗜热蛋白质的定向突变。
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来源期刊
Journal of Computational Biology
Journal of Computational Biology 生物-计算机:跨学科应用
CiteScore
3.60
自引率
5.90%
发文量
113
审稿时长
6-12 weeks
期刊介绍: Journal of Computational Biology is the leading peer-reviewed journal in computational biology and bioinformatics, publishing in-depth statistical, mathematical, and computational analysis of methods, as well as their practical impact. Available only online, this is an essential journal for scientists and students who want to keep abreast of developments in bioinformatics. Journal of Computational Biology coverage includes: -Genomics -Mathematical modeling and simulation -Distributed and parallel biological computing -Designing biological databases -Pattern matching and pattern detection -Linking disparate databases and data -New tools for computational biology -Relational and object-oriented database technology for bioinformatics -Biological expert system design and use -Reasoning by analogy, hypothesis formation, and testing by machine -Management of biological databases
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