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二维傅里叶变换和 DTW 在蛋白质序列比较中的应用。

Use of 2D FFT and DTW in Protein Sequence Comparison.

机构信息

Department of ECE, National Institute of Technology, Durgapur, India.

Department of CSE, Narula Institute of Technology, Kolkata, India.

出版信息

Protein J. 2024 Feb;43(1):1-11. doi: 10.1007/s10930-023-10160-2. Epub 2023 Oct 17.

DOI:10.1007/s10930-023-10160-2
PMID:37848727
Abstract

Protein sequence comparison remains a challenging work for the researchers owing to the computational complexity due to the presence of 20 amino acids compared with only four nucleotides in Genome sequences. Further, protein sequences of different species are of different lengths; it throws additional changes to the researchers to develop methods, specially alignment-free methods, to compare protein sequences. In this work, an efficient technique to compare protein sequences is developed by a graphical representation. First, the classified grouping of 20 amino acids with a cardinality of 4 based on polar class is considered to narrow down the representational range from 20 to 4. Then a unit vector technique based on a two-quadrant Cartesian system is proposed to provide a new two-dimensional graphical representation of the protein sequence. Now, two approaches are proposed to cope with the varying lengths of protein sequences from various species: one uses Dynamic Time Warping (DTW), while the other one uses a two-dimensional Fast Fourier Transform (2D FFT). Next, the effectiveness of these two techniques is analyzed using two evaluation criteria-quantitative measures based on symmetric distance (SD) and computational speed. An analysis is performed on five data sets of 9 ND4, 9 ND5, 9 ND6, 12 Baculovirus, and 24 TF proteins under the two methods. It is found that the FFT-based method produces the same results as DTW but in less computational time. It is found that the result of the proposed method agrees with the known biological reference. Further, the present method produces better clustering than the existing ones.

摘要

由于基因组序列中只有四种核苷酸,而蛋白质序列中却有 20 种氨基酸,因此蛋白质序列比较对研究人员来说仍然是一项具有挑战性的工作。此外,不同物种的蛋白质序列长度不同;这给研究人员开发方法,特别是无比对方法,来比较蛋白质序列带来了额外的变化。在这项工作中,通过图形表示开发了一种有效的蛋白质序列比较技术。首先,考虑基于极性类别的 20 种氨基酸的分类分组,基数为 4,以缩小表示范围从 20 到 4。然后提出了一种基于二维笛卡尔系统的单位矢量技术,为蛋白质序列提供新的二维图形表示。现在,提出了两种方法来处理来自不同物种的蛋白质序列的不同长度:一种使用动态时间规整(DTW),另一种使用二维快速傅里叶变换(2D FFT)。接下来,使用基于对称距离(SD)的定量度量和计算速度这两个评估标准来分析这两种技术的有效性。在两种方法下,对 9 个 ND4、9 个 ND5、9 个 ND6、12 个杆状病毒和 24 个 TF 蛋白的五个数据集进行了分析。结果表明,基于 FFT 的方法产生的结果与 DTW 相同,但计算时间更短。结果表明,所提出的方法的结果与已知的生物学参考一致。此外,该方法比现有的方法产生更好的聚类。

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