{"title":"MSCMamba: Prediction of Antimicrobial Peptide Activity Values by Fusing Multiscale Convolution with Mamba Module.","authors":"Mingyue He, Yongquan Jiang, Yan Yang, Kuanping Gong, Xuanpei Jiang, Yuan Tian","doi":"10.1021/acs.jpcb.4c07752","DOIUrl":null,"url":null,"abstract":"<p><p>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 <i>R</i><sup>2</sup> 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.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":" ","pages":"1956-1965"},"PeriodicalIF":2.8000,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry B","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpcb.4c07752","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/6 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
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.
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.