FLASHDeconv: Ultrafast, High-Quality Feature Deconvolution for Top-Down Proteomics
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FLASHDeconv: Ultrafast, High-Quality Feature Deconvolution for Top-Down Proteomics. / Jeong, Kyowon; Kim, Jihyung; Gaikwad, Manasi; Hidayah, Siti Nurul; Heikaus, Laura; Schlüter, Hartmut; Kohlbacher, Oliver.
In: CELL SYST, Vol. 10, No. 2, 26.02.2020, p. 213-218.e6.Research output: SCORING: Contribution to journal › SCORING: Journal article › Research › peer-review
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T1 - FLASHDeconv: Ultrafast, High-Quality Feature Deconvolution for Top-Down Proteomics
AU - Jeong, Kyowon
AU - Kim, Jihyung
AU - Gaikwad, Manasi
AU - Hidayah, Siti Nurul
AU - Heikaus, Laura
AU - Schlüter, Hartmut
AU - Kohlbacher, Oliver
N1 - Copyright © 2020 The Authors. Published by Elsevier Inc. All rights reserved.
PY - 2020/2/26
Y1 - 2020/2/26
N2 - Top-down mass spectrometry (TD-MS)-based proteomics analyzes intact proteoforms and thus preserves information about individual protein species. The MS signal of these high-mass analytes is complex and challenges the accurate determination of proteoform masses. Fast and accurate feature deconvolution (i.e., the determination of intact proteoform masses) is, therefore, an essential step for TD data analysis. Here, we present FLASHDeconv, an algorithm achieving higher deconvolution quality, with an execution speed two orders of magnitude faster than existing approaches. FLASHDeconv transforms peak positions (m/z) within spectra into log m/z space. This simple transformation turns the deconvolution problem into a search for constant patterns, thereby greatly accelerating the process. In both simple and complex samples, FLASHDeconv reports more genuine feature masses and substantially fewer artifacts than other existing methods. FLASHDeconv is freely available for download here: https://www.openms.org/flashdeconv/. A record of this paper's Transparent Peer Review process is included in the Supplemental Information.
AB - Top-down mass spectrometry (TD-MS)-based proteomics analyzes intact proteoforms and thus preserves information about individual protein species. The MS signal of these high-mass analytes is complex and challenges the accurate determination of proteoform masses. Fast and accurate feature deconvolution (i.e., the determination of intact proteoform masses) is, therefore, an essential step for TD data analysis. Here, we present FLASHDeconv, an algorithm achieving higher deconvolution quality, with an execution speed two orders of magnitude faster than existing approaches. FLASHDeconv transforms peak positions (m/z) within spectra into log m/z space. This simple transformation turns the deconvolution problem into a search for constant patterns, thereby greatly accelerating the process. In both simple and complex samples, FLASHDeconv reports more genuine feature masses and substantially fewer artifacts than other existing methods. FLASHDeconv is freely available for download here: https://www.openms.org/flashdeconv/. A record of this paper's Transparent Peer Review process is included in the Supplemental Information.
U2 - 10.1016/j.cels.2020.01.003
DO - 10.1016/j.cels.2020.01.003
M3 - SCORING: Journal article
C2 - 32078799
VL - 10
SP - 213-218.e6
JO - CELL SYST
JF - CELL SYST
SN - 2405-4712
IS - 2
ER -