利用编码器-解码器和注意力机制模型预测蛋白质二级结构的新方法。

Q2 Biochemistry, Genetics and Molecular Biology Biomolecular Concepts Pub Date : 2024-03-13 eCollection Date: 2024-01-01 DOI:10.1515/bmc-2022-0043
Pravinkumar M Sonsare, Chellamuthu Gunavathi
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引用次数: 0

摘要

计算生物学面临着许多挑战,如蛋白质二级结构预测(PSS)、溶剂可及性预测等。在这项工作中,我们研究了蛋白质二级结构预测。PSS 基于氨基酸残基之间的序列结构映射和相互作用。我们提出了一种带有注意机制模型的编码器-解码器,该模型考虑了序列结构和残基间相互作用的映射。注意力机制用于从氨基酸残基中选择突出特征。我们使用 Nvidia DGX 系统在 CB513 和 CullPDB 开放数据集上训练了所提出的模型。我们对提出的方法进行了 Q 3 和 Q 8 准确率、重叠段和 Mathew 相关系数测试。我们在 CullPDB 数据集上的 Q 3 和 Q 8 准确率分别为 70.63% 和 78.93%,而在 CB513 数据集上的 Q 3 和 Q 8 准确率分别为 79.8% 和 77.13%。在 CullPDB 和 CB513 数据集上,我们观察到 SOV 分别提高到 80.29% 和 91.3%。使用我们提出的模型,我们只用了很少的时间就取得了这样的结果,这比最先进的方法要好。
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A novel approach for protein secondary structure prediction using encoder-decoder with attention mechanism model.

Computational biology faces many challenges like protein secondary structure prediction (PSS), prediction of solvent accessibility, etc. In this work, we addressed PSS prediction. PSS is based on sequence-structure mapping and interaction among amino acid residues. We proposed an encoder-decoder with an attention mechanism model, which considers the mapping of sequence structure and interaction among residues. The attention mechanism is used to select prominent features from amino acid residues. The proposed model is trained on CB513 and CullPDB open datasets using the Nvidia DGX system. We have tested our proposed method for Q 3 and Q 8 accuracy, segment of overlap, and Mathew correlation coefficient. We achieved 70.63 and 78.93% Q 3 and Q 8 accuracy, respectively, on the CullPDB dataset whereas 79.8 and 77.13% Q 3 and Q 8 accuracy on the CB513 dataset. We observed improvement in SOV up to 80.29 and 91.3% on CullPDB and CB513 datasets. We achieved the results using our proposed model in very few epochs, which is better than the state-of-the-art methods.

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来源期刊
Biomolecular Concepts
Biomolecular Concepts Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (all)
CiteScore
5.30
自引率
0.00%
发文量
27
审稿时长
12 weeks
期刊介绍: BioMolecular Concepts is a peer-reviewed open access journal fostering the integration of different fields of biomolecular research. The journal aims to provide expert summaries from prominent researchers, and conclusive extensions of research data leading to new and original, testable hypotheses. Aspects of research that can promote related fields, and lead to novel insight into biological mechanisms or potential medical applications are of special interest. Original research articles reporting new data of broad significance are also welcome. Topics: -cellular and molecular biology- genetics and epigenetics- biochemistry- structural biology- neurosciences- developmental biology- molecular medicine- pharmacology- microbiology- plant biology and biotechnology.
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