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PeptideDepot: Flexible relational database for visual analysis of quantitative proteomic data and integration of existing protein information

机译:PeptideDepot:灵活的关系数据库,用于可视化分析定量蛋白质组学数据和整合现有蛋白质信息

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摘要

Recently, dramatic progress has been achieved in expanding the sensitivity, resolution, mass accuracy, and scan rate of mass spectrometers able to fragment and identify peptides through MS/MS. Unfortunately, this enhanced ability to acquire proteomic data has not been accompanied by a concomitant increase in the availability of flexible tools allowing users to rapidly assimilate, explore, and analyze this data and adapt to various experimental workflows with minimal user intervention. Here we fill this critical gap by providing a flexible relational database called PeptideDepot for organization of expansive proteomic data sets, collation of proteomic data with available protein information resources, and visual comparison of multiple quantitative proteomic experiments. Our software design, built upon the synergistic combination of a MySQL database for safe warehousing of proteomic data with a FileMakerdriven graphical user interface for flexible adaptation to diverse workflows, enables proteomic end-users to directly tailor the presentation of proteomic data to the unique analysis requirements of the individual proteomics lab. PeptideDepot may be deployed as an independent software tool or integrated directly with our high throughput autonomous proteomic pipeline used in the automated acquisition and post-acquisition analysis of proteomic data.
机译:最近,在扩展质谱仪的灵敏度,分辨率,质量准确度和扫描速率方面已经取得了巨大进展,该质谱仪能够通过MS / MS进行片段化和鉴定。不幸的是,获得蛋白质组数据的能力增强并没有伴随着灵活工具的可用性的增加,这使用户可以快速吸收,探索和分析这些数据,并以最少的用户干预来适应各种实验性工作流程。在这里,我们通过提供一个称为PeptideDepot的灵活关系数据库来弥补这一关键空白,该数据库用于组织扩展的蛋白质组数据集,将蛋白质组数据与可用的蛋白质信息资源进行整理以及对多个定量蛋白质组实验进行视觉比较。我们的软件设计基于可安全存储蛋白质组数据的MySQL数据库与FileMaker驱动的图形用户界面的协同组合,可灵活适应各种工作流程,使蛋白质组最终用户可以直接调整蛋白质组数据的显示方式以适应独特的分析要求蛋白质组学实验室的成员。 PeptideDepot可以作为独立的软件工具部署,也可以直接与我们的高通量自主蛋白质组学管道集成,用于蛋白质组数据的自动采集和采集后分析。

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