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Deuteros:用于快速分析和可视化差示氘氢交换-质谱数据的软件。

Deuteros: software for rapid analysis and visualization of data from differential hydrogen deuterium exchange-mass spectrometry.

机构信息

Department of Chemistry, King's College London, London, UK.

出版信息

Bioinformatics. 2019 Sep 1;35(17):3171-3173. doi: 10.1093/bioinformatics/btz022.

Abstract

SUMMARY

Hydrogen deuterium exchange-mass spectrometry (HDX-MS) has emerged as a powerful technique for interrogating the conformational dynamics of proteins and their complexes. Currently, analysis of HDX-MS data remains a laborious procedure, mainly due to the lack of streamlined software to process the large datasets. We present Deuteros which is a standalone software designed to be coupled with Waters DynamX HDX data analysis software, allowing the rapid analysis and visualization of data from differential HDX-MS.

AVAILABILITY AND IMPLEMENTATION

Deuteros is open-source and can be downloaded from https://github.com/andymlau/Deuteros, under the Apache 2.0 license. Written in MATLAB and supported on both Windows and MacOS. Requires the MATLAB runtime library. According to the Wellcome Trust and UK research councils' Common Principles on Data Policy on data, software and materials management and sharing, all data supporting this study will be openly available from the software repository.

摘要

摘要

氢氘交换-质谱(HDX-MS)技术已成为研究蛋白质及其复合物构象动力学的强大工具。目前,HDX-MS 数据分析仍然是一项繁琐的工作,主要是因为缺乏用于处理大型数据集的流畅软件。我们介绍了 Deuteros,这是一款独立的软件,旨在与 Waters DynamX HDX 数据分析软件相配合,可快速分析和可视化来自差分式 HDX-MS 的数据。

可用性和实现

Deuteros 是开源的,可以从 https://github.com/andymlau/Deuteros 下载,遵循 Apache 2.0 许可证。它使用 MATLAB 编写,支持 Windows 和 MacOS。需要 MATLAB 运行时库。根据威康信托基金会和英国研究理事会关于数据、软件和材料管理与共享的共同原则,支持本研究的所有数据都将从软件库中公开提供。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a2d7/6736138/34fc707f6bec/btz022f1.jpg

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