NABhClassifier Server: A Tool for the Identification of Helical Nucleic Acid-Binding Sequences in Proteins.

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL Journal of Chemical Information and Modeling Pub Date : 2025-03-10 Epub Date: 2025-02-22 DOI:10.1021/acs.jcim.4c02244
Rogerio Margis, Iara Macedo, Nureyev F Rodrigues, Mateus Dias-Oliveira, Fernanda Lazzarotto, Diego Trindade de Souza, Geancarlo Zanatta
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Abstract

Engineered proteins capable of binding and transporting nucleic acids hold significant potential for advancing disease control in both the medical and agricultural fields. However, identifying small nucleic acid-binding domains remains challenging, as existing predictors primarily classify entire proteins as binders or nonbinders rather than targeting specific binding regions. Here, we introduce NABhClassifier, a highly efficient and precise web server designed to detect small helical sequences with nucleic acid-binding potential. Featuring an intuitive interface and a fully automated prediction pipeline, NABhClassifier integrates eight machine learning models for rapid analysis, delivering results in seconds per protein sequence. Predictions are summarized in the NABh index, a consensus score that combines outputs from all models for enhanced reliability. The server's accuracy has been validated on data sets of DNA-binding and single- and double-stranded RNA-binding proteins from various species. NABhClassifier provides a powerful tool for identifying small helices with nucleic acid-binding capacity, facilitating the discovery of novel biotechnological applications. The server, along with tutorials, is freely accessible at http://143.54.25.149.

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NABhClassifier Server:一种鉴定蛋白质螺旋核酸结合序列的工具。
能够结合和运输核酸的工程蛋白在推进医学和农业领域的疾病控制方面具有巨大的潜力。然而,识别小的核酸结合区域仍然具有挑战性,因为现有的预测方法主要是将整个蛋白质分类为结合物或非结合物,而不是针对特定的结合区域。在这里,我们介绍NABhClassifier,一个高效和精确的web服务器,旨在检测具有核酸结合电位的小螺旋序列。NABhClassifier具有直观的界面和全自动预测管道,集成了8个机器学习模型进行快速分析,每个蛋白质序列在几秒钟内提供结果。预测总结在NABh指数中,这是一个共识分数,结合了所有模型的输出,以提高可靠性。该服务器的准确性已在来自不同物种的dna结合和单链和双链rna结合蛋白的数据集上得到验证。NABhClassifier为识别具有核酸结合能力的小螺旋提供了强大的工具,有助于发现新的生物技术应用。该服务器和教程可以在http://143.54.25.149上免费访问。
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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