Updated MS2PIP web server delivers fast and accurate MS2 peak intensity prediction for multiple fragmentation methods, instruments and labeling techniques
Updated MS2PIP web server delivers fast and accurate MS2 peak intensity prediction for multiple fragmentation methods, instruments and labeling techniques
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DOI：
10.1093/nar/gkz299
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发表时间：
2019-07-02
影响因子：
14.9
通讯作者：
Degroeve, Sven
中科院分区：
文献类型：
--
作者：
Gabriels, Ralf;Martens, Lennart;Degroeve, Sven
MS2PIP 是一种数据驱动的工具，可以准确预测给定肽的碎片质谱的峰强度。自 2015 年发布 MS2PIP Web 服务器以来，我们对该工具和 Web 服务器都进行了重大更新。除了 CID 和 HCD 碎片的原始模型之外，我们还添加了用于 TripleTOF 5600+ 质谱仪、TMT 标记肽、iTRAQ 标记肽和 iTRAQ 标记磷酸肽的专用模型。由于碎片模式在每种情况下都会发生很大变化，因此这些附加模型极大地提高了相应数据类型的预测准确性。我们还大幅减少了运行 (MSPIP)-P-2 所需的计算资源，并完全重建了网络服务器，现在允许在单个请求中预测多达 100 000 个肽序列。 MS2PIP Web 服务器可在 https://iomics.ugent.be/ms2pip/ 上免费获取。
MS2PIP is a data-driven tool that accurately predicts peak intensities for a given peptide's fragmentation mass spectrum. Since the release of the MS2PIP web server in 2015, we have brought significant updates to both the tool and the web server. In addition to the original models for CID and HCD fragmentation, we have added specialized models for the TripleTOF 5600+ mass spectrometer, for TMT-labeled peptides, for iTRAQ-labeled peptides, and for iTRAQ-labeled phosphopeptides. Because the fragmentation pattern is heavily altered in each of these cases, these additional models greatly improve the prediction accuracy for their corresponding data types. We have also substantially reduced the computational resources required to run (MSPIP)-P-2, and have completely rebuilt the web server, which now allows predictions of up to 100 000 peptide sequences in a single request. The MS2PIP web server is freely available at https://iomics.ugent.be/ms2pip/.