MSCMamba: Prediction of Antimicrobial Peptide Activity Values by Fusing Multiscale Convolution with Mamba Module.

IF 2.9 2区 化学 Q3 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry B Pub Date : 2025-02-20 Epub Date: 2025-02-06 DOI:10.1021/acs.jpcb.4c07752
Mingyue He, Yongquan Jiang, Yan Yang, Kuanping Gong, Xuanpei Jiang, Yuan Tian
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Abstract

Antimicrobial peptides (AMPs) have important developmental prospects as potential candidates for novel antibiotics. Although many studies have been devoted to the identification of AMPs and the qualitative prediction of their functional activities, few methods address the quantitative prediction of their activity values. In this paper, we propose a regression model called MSCMamba, which fuses multiscale convolutional neural network with Mamba module to accurately predict the activity values of AMPs. AMPs sequences are feature-extracted by multiple encoding methods and fed into a multiscale convolutional network and a Mamba module to capture local and long-range dependent features, respectively. The model fuses these two outputs and predicts the activity values of AMPs through a linear layer. Experimental results show that MSCMamba outperforms the current state-of-the-art methods in several performance metrics, especially with an increase in R2 from 0.422 to 0.467, representing a 10.66% improvement. Additionally, we did a series of ablation experiments to verify the validity of each part of the MSCMamba model and the performance enhancement of feature diversification.This study provides a new method for activity prediction of AMPs, which is expected to accelerate the development of novel antibiotics.

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MSCMamba:通过融合多尺度卷积与Mamba模块预测抗菌肽活性值。
抗菌肽作为新型抗生素的潜在候选物具有重要的发展前景。尽管许多研究致力于amp的鉴定和其功能活性的定性预测,但很少有方法解决其活性值的定量预测。本文提出了一种MSCMamba回归模型,该模型将多尺度卷积神经网络与Mamba模块相融合,可以准确预测amp的活度值。AMPs序列通过多种编码方法提取特征,并分别输入多尺度卷积网络和Mamba模块来捕获局部和远程依赖特征。该模型融合了这两个输出,并通过线性层预测amp的活度值。实验结果表明,MSCMamba在几个性能指标上都优于当前最先进的方法,特别是将R2从0.422提高到0.467,提高了10.66%。此外,我们还做了一系列的消融实验来验证MSCMamba模型各部分的有效性和特征多样化的性能增强。本研究为抗菌肽活性预测提供了一种新的方法,有望加快新型抗生素的开发。
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来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
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