Deciphering Protein Secondary Structures and Nucleic Acids in Cryo-EM Maps Using Deep Learning

IF 5.3 2区 化学 Q1 CHEMISTRY, MEDICINAL
Hong Cao, Jiahua He, Tao Li and Sheng-You Huang*, 
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引用次数: 0

Abstract

With the resolution revolution of cryo-electron microscopy (cryo-EM) and the rapid development of image processing technology, cryo-EM has become an indispensable experimental method for determining the three-dimensional structures of biological macromolecules. However, structural modeling from cryo-EM maps remains a difficult task for intermediate-resolution maps. In such cases, detection of protein secondary structures and nucleic acid locations in an EM map is of great value for model building of the map. Meeting the need, we present a deep learning-based method for detecting protein secondary structures and nucleic acid locations in cryo-EM density maps, named EMInfo. EMInfo was extensively evaluated on two protein-nucleic acid complex test sets including intermediate-resolution experimental maps and high-resolution experimental maps and compared them with two state-of-the-art methods including Emap2sec+ and Haruspex. It is shown that EMInfo can accurately predict different structural categories in an EM map. EMInfo is freely available at http://huanglab.phys.hust.edu.cn/EMInfo/.

Abstract Image

利用深度学习在冷冻电镜图谱中破译蛋白质二级结构和核酸
随着低温电子显微镜(cryo-EM)的分辨率革命和图像处理技术的飞速发展,低温电子显微镜已成为测定生物大分子三维结构不可缺少的实验方法。然而,从低温电镜图中进行结构建模对于中分辨率的图来说仍然是一项困难的任务。在这种情况下,检测EM图中的蛋白质二级结构和核酸位置对于构建EM图的模型具有重要价值。为了满足这一需求,我们提出了一种基于深度学习的方法来检测低温电镜密度图中的蛋白质二级结构和核酸位置,名为EMInfo。EMInfo在两种蛋白质核酸复合物测试集(包括中分辨率实验图和高分辨率实验图)上进行了广泛的评估,并与Emap2sec+和Haruspex两种最先进的方法进行了比较。结果表明,EMInfo可以准确地预测EM图中不同的结构类别。EMInfo可在http://huanglab.phys.hust.edu.cn/EMInfo/免费获得。
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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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