Kingfisher: An open-sourced web-based platform for the analysis of hydrogen exchange mass spectrometry data.

IF 4.5 3区 生物学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY
Protein Science Pub Date : 2025-04-01 DOI:10.1002/pro.70096
Nolan K McLaughlin, Juan P Rincon Pabon, Samantha Gies, Reza Dastvan, Michael L Gross
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引用次数: 0

Abstract

Hydrogen-deuterium exchange mass spectrometry (HDX-MS) is now a critical tool in molecular biology and structural proteomics. It is routinely used to probe protein and conformational dynamics through a well-established experiment where amide hydrogens exchange with deuterium atoms in a buffer containing D2O. Although there have been numerous advances in the field, data analysis still poses challenges mainly due to the need for manual curation of the data and the lack of standardized statistics and accessible software. In response, we developed Kingfisher, an open-source, user-friendly, web-based solution that facilitates downstream analysis using well-established statistics and provides advanced high-resolution representations of the HDX results. Kingfisher is able to read data directly as exported from common software packages and usually takes less than a minute to run the analysis, without the need to download the raw code or install any software. We foresee Kingfisher as a valuable tool for both newcomers and experts in the field of Hydrogen Exchange Mass Spectrometry. Kingfisher is available to all users as an interactive web application at https://kingfisher.wustl.edu/.

翠鸟:一个基于网络的开源平台,用于分析氢交换质谱数据。
氢-氘交换质谱(HDX-MS)是分子生物学和结构蛋白质组学研究的重要工具。它通常用于探测蛋白质和构象动力学,通过一个完善的实验,其中酰胺氢与氘原子在含有D2O的缓冲液中交换。尽管该领域已经取得了许多进步,但数据分析仍然面临挑战,主要原因是需要手动管理数据,缺乏标准化的统计数据和可访问的软件。为此,我们开发了开源、用户友好、基于网络的解决方案Kingfisher,利用完善的统计数据促进下游分析,并提供HDX结果的高级高分辨率表示。翠鸟能够直接从普通软件包中读取导出的数据,运行分析通常需要不到一分钟的时间,而不需要下载原始代码或安装任何软件。我们预见翠鸟是一个宝贵的工具,无论是新手和专家在氢交换质谱领域。翠鸟作为一个交互式web应用程序在https://kingfisher.wustl.edu/对所有用户开放。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Protein Science
Protein Science 生物-生化与分子生物学
CiteScore
12.40
自引率
1.20%
发文量
246
审稿时长
1 months
期刊介绍: Protein Science, the flagship journal of The Protein Society, is a publication that focuses on advancing fundamental knowledge in the field of protein molecules. The journal welcomes original reports and review articles that contribute to our understanding of protein function, structure, folding, design, and evolution. Additionally, Protein Science encourages papers that explore the applications of protein science in various areas such as therapeutics, protein-based biomaterials, bionanotechnology, synthetic biology, and bioelectronics. The journal accepts manuscript submissions in any suitable format for review, with the requirement of converting the manuscript to journal-style format only upon acceptance for publication. Protein Science is indexed and abstracted in numerous databases, including the Agricultural & Environmental Science Database (ProQuest), Biological Science Database (ProQuest), CAS: Chemical Abstracts Service (ACS), Embase (Elsevier), Health & Medical Collection (ProQuest), Health Research Premium Collection (ProQuest), Materials Science & Engineering Database (ProQuest), MEDLINE/PubMed (NLM), Natural Science Collection (ProQuest), and SciTech Premium Collection (ProQuest).
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