FusPB-ESM2:用于细胞穿透肽预测的 ProtBERT 和 ESM-2 融合模型

IF 2.6 4区 生物学 Q2 BIOLOGY
Fan Zhang, Jinfeng Li, Zhenguo Wen, Chun Fang
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引用次数: 0

摘要

细胞穿透肽能够突破细胞膜屏障,从而提高药物的生物利用度、减少副作用并促进基因疗法的发展,因此备受关注。传统的湿实验室预测方法耗时长、成本高,而计算方法提供了一种耗时短、成本低的替代方法。但其准确性和可靠性仍有待进一步提高。为解决这一问题,本研究提出了一种基于特征融合的预测模型,即使用蛋白质预训练语言模型 ProtBERT 和 ESM-2 作为特征提取器,并将两者提取的特征进行融合,以获得更全面有效的特征表示,然后通过线性映射进行预测。经过在公共数据集上的多次实验验证,该方法的AUC值高达0.983,在细胞穿透肽预测方面表现出较高的准确性和可靠性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
FusPB-ESM2: Fusion model of ProtBERT and ESM-2 for cell-penetrating peptide prediction

Cell-penetrating peptides have attracted much attention for their ability to break through cell membrane barriers, which can improve drug bioavailability, reduce side effects, and promote the development of gene therapy. Traditional wet-lab prediction methods are time-consuming and costly, and computational methods provide a short-time and low-cost alternative. Still, the accuracy and reliability need to be further improved. To solve this problem, this study proposes a feature fusion-based prediction model, where the protein pre-trained language models ProtBERT and ESM-2 are used as feature extractors, and the extracted features from both are fused to obtain a more comprehensive and effective feature representation, which is then predicted by linear mapping. Validated by many experiments on public datasets, the method has an AUC value as high as 0.983 and shows high accuracy and reliability in cell-penetrating peptide prediction.

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来源期刊
Computational Biology and Chemistry
Computational Biology and Chemistry 生物-计算机:跨学科应用
CiteScore
6.10
自引率
3.20%
发文量
142
审稿时长
24 days
期刊介绍: Computational Biology and Chemistry publishes original research papers and review articles in all areas of computational life sciences. High quality research contributions with a major computational component in the areas of nucleic acid and protein sequence research, molecular evolution, molecular genetics (functional genomics and proteomics), theory and practice of either biology-specific or chemical-biology-specific modeling, and structural biology of nucleic acids and proteins are particularly welcome. Exceptionally high quality research work in bioinformatics, systems biology, ecology, computational pharmacology, metabolism, biomedical engineering, epidemiology, and statistical genetics will also be considered. Given their inherent uncertainty, protein modeling and molecular docking studies should be thoroughly validated. In the absence of experimental results for validation, the use of molecular dynamics simulations along with detailed free energy calculations, for example, should be used as complementary techniques to support the major conclusions. Submissions of premature modeling exercises without additional biological insights will not be considered. Review articles will generally be commissioned by the editors and should not be submitted to the journal without explicit invitation. However prospective authors are welcome to send a brief (one to three pages) synopsis, which will be evaluated by the editors.
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