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UV-POSIT:用于紫外光解离(UVPD)质谱快速便捷结构解析的基于网络的工具。

UV-POSIT: Web-Based Tools for Rapid and Facile Structural Interpretation of Ultraviolet Photodissociation (UVPD) Mass Spectra.

作者信息

Rosenberg Jake, Parker W Ryan, Cammarata Michael B, Brodbelt Jennifer S

机构信息

Department of Chemistry, The University of Texas at Austin, Austin, TX, 78712, USA.

出版信息

J Am Soc Mass Spectrom. 2018 Jun;29(6):1323-1326. doi: 10.1007/s13361-018-1918-x. Epub 2018 Apr 6.

Abstract

UV-POSIT (Ultraviolet Photodissociation Online Structure Interrogation Tools) is a suite of web-based tools designed to facilitate the rapid interpretation of data from native mass spectrometry experiments making use of 193 nm ultraviolet photodissociation (UVPD). The suite includes four separate utilities which assist in the calculation of fragment ion abundances as a function of backbone cleavage sites and sequence position; the localization of charge sites in intact proteins; the calculation of hydrogen elimination propensity for a-type fragment ions; and mass-offset searching of UVPD spectra to identify unknown modifications and assess false positive fragment identifications. UV-POSIT is implemented as a Python/Flask web application hosted at http://uv-posit.cm.utexas.edu . UV-POSIT is available under the MIT license, and the source code is available at https://github.com/jarosenb/UV_POSIT . Graphical Abstract.

摘要

UV-POSIT(紫外光解离在线结构解析工具)是一套基于网络的工具,旨在促进对利用193纳米紫外光解离(UVPD)的天然质谱实验数据进行快速解读。该套件包括四个独立的实用工具,可协助计算作为主链切割位点和序列位置函数的碎片离子丰度;完整蛋白质中电荷位点的定位;a型碎片离子氢消除倾向的计算;以及UVPD光谱的质量偏移搜索,以识别未知修饰并评估假阳性碎片鉴定。UV-POSIT作为一个Python/Flask网络应用程序在http://uv-posit.cm.utexas.edu上托管。UV-POSIT根据麻省理工学院许可提供,源代码可在https://github.com/jarosenb/UV_POSIT获取。图形摘要。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d39a/6004247/15cdc3a6b84a/nihms958026f1.jpg

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