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Page 1
MassSpecGym: A benchmark for the discovery and identification of molecules.
Bushuiev R, Bushuiev A, de Jonge NF, Young A, Kretschmer F, Samusevich R, Heirman J, Wang F, Zhang L, Dührkop K, Ludwig M, Haupt NA, Kalia A, Brungs C, Schmid R, Greiner R, Wang B, Wishart DS, Liu LP, Rousu J, Bittremieux W, Rost H, Mak TD, Hassoun S, Huber F, van der Hooft JJJ, Stravs MA, Böcker S, Sivic J, Pluskal T. Bushuiev R, et al. Among authors: duhrkop k. ArXiv [Preprint]. 2024 Oct 30:arXiv:2410.23326v1. ArXiv. 2024. PMID: 39575121 Free PMC article. Preprint.
Statistical analysis of feature-based molecular networking results from non-targeted metabolomics data.
Pakkir Shah AK, Walter A, Ottosson F, Russo F, Navarro-Diaz M, Boldt J, Kalinski JJ, Kontou EE, Elofson J, Polyzois A, González-Marín C, Farrell S, Aggerbeck MR, Pruksatrakul T, Chan N, Wang Y, Pöchhacker M, Brungs C, Cámara B, Caraballo-Rodríguez AM, Cumsille A, de Oliveira F, Dührkop K, El Abiead Y, Geibel C, Graves LG, Hansen M, Heuckeroth S, Knoblauch S, Kostenko A, Kuijpers MCM, Mildau K, Papadopoulos Lambidis S, Portal Gomes PW, Schramm T, Steuer-Lodd K, Stincone P, Tayyab S, Vitale GA, Wagner BC, Xing S, Yazzie MT, Zuffa S, de Kruijff M, Beemelmanns C, Link H, Mayer C, van der Hooft JJJ, Damiani T, Pluskal T, Dorrestein P, Stanstrup J, Schmid R, Wang M, Aron A, Ernst M, Petras D. Pakkir Shah AK, et al. Among authors: duhrkop k. Nat Protoc. 2024 Sep 20. doi: 10.1038/s41596-024-01046-3. Online ahead of print. Nat Protoc. 2024. PMID: 39304763 Review.
Integrative analysis of multimodal mass spectrometry data in MZmine 3.
Schmid R, Heuckeroth S, Korf A, Smirnov A, Myers O, Dyrlund TS, Bushuiev R, Murray KJ, Hoffmann N, Lu M, Sarvepalli A, Zhang Z, Fleischauer M, Dührkop K, Wesner M, Hoogstra SJ, Rudt E, Mokshyna O, Brungs C, Ponomarov K, Mutabdžija L, Damiani T, Pudney CJ, Earll M, Helmer PO, Fallon TR, Schulze T, Rivas-Ubach A, Bilbao A, Richter H, Nothias LF, Wang M, Orešič M, Weng JK, Böcker S, Jeibmann A, Hayen H, Karst U, Dorrestein PC, Petras D, Du X, Pluskal T. Schmid R, et al. Among authors: duhrkop k. Nat Biotechnol. 2023 Apr;41(4):447-449. doi: 10.1038/s41587-023-01690-2. Nat Biotechnol. 2023. PMID: 36859716 Free PMC article. No abstract available.
Standardized multi-omics of Earth's microbiomes reveals microbial and metabolite diversity.
Shaffer JP, Nothias LF, Thompson LR, Sanders JG, Salido RA, Couvillion SP, Brejnrod AD, Lejzerowicz F, Haiminen N, Huang S, Lutz HL, Zhu Q, Martino C, Morton JT, Karthikeyan S, Nothias-Esposito M, Dührkop K, Böcker S, Kim HW, Aksenov AA, Bittremieux W, Minich JJ, Marotz C, Bryant MM, Sanders K, Schwartz T, Humphrey G, Vásquez-Baeza Y, Tripathi A, Parida L, Carrieri AP, Beck KL, Das P, González A, McDonald D, Ladau J, Karst SM, Albertsen M, Ackermann G, DeReus J, Thomas T, Petras D, Shade A, Stegen J, Song SJ, Metz TO, Swafford AD, Dorrestein PC, Jansson JK, Gilbert JA, Knight R; Earth Microbiome Project 500 (EMP500) Consortium. Shaffer JP, et al. Among authors: duhrkop k. Nat Microbiol. 2022 Dec;7(12):2128-2150. doi: 10.1038/s41564-022-01266-x. Epub 2022 Nov 28. Nat Microbiol. 2022. PMID: 36443458 Free PMC article.
Illuminating the dark metabolome of Pseudo-nitzschia-microbiome associations.
Koester I, Quinlan ZA, Nothias LF, White ME, Rabines A, Petras D, Brunson JK, Dührkop K, Ludwig M, Böcker S, Azam F, Allen AE, Dorrestein PC, Aluwihare LI. Koester I, et al. Among authors: duhrkop k. Environ Microbiol. 2022 Nov;24(11):5408-5424. doi: 10.1111/1462-2920.16242. Environ Microbiol. 2022. PMID: 36222155 Free PMC article.
MSNovelist: de novo structure generation from mass spectra.
Stravs MA, Dührkop K, Böcker S, Zamboni N. Stravs MA, et al. Among authors: duhrkop k. Nat Methods. 2022 Jul;19(7):865-870. doi: 10.1038/s41592-022-01486-3. Epub 2022 May 30. Nat Methods. 2022. PMID: 35637304 Free PMC article.
High-confidence structural annotation of metabolites absent from spectral libraries.
Hoffmann MA, Nothias LF, Ludwig M, Fleischauer M, Gentry EC, Witting M, Dorrestein PC, Dührkop K, Böcker S. Hoffmann MA, et al. Among authors: duhrkop k. Nat Biotechnol. 2022 Mar;40(3):411-421. doi: 10.1038/s41587-021-01045-9. Epub 2021 Oct 14. Nat Biotechnol. 2022. PMID: 34650271 Free PMC article.
28 results