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Expanding the Use of Spectral Libraries in Proteomics.
Deutsch EW, Perez-Riverol Y, Chalkley RJ, Wilhelm M, Tate S, Sachsenberg T, Walzer M, Käll L, Delanghe B, Böcker S, Schymanski EL, Wilmes P, Dorfer V, Kuster B, Volders PJ, Jehmlich N, Vissers JPC, Wolan DW, Wang AY, Mendoza L, Shofstahl J, Dowsey AW, Griss J, Salek RM, Neumann S, Binz PA, Lam H, Vizcaíno JA, Bandeira N, Röst H. Deutsch EW, et al. Among authors: schymanski el. J Proteome Res. 2018 Dec 7;17(12):4051-4060. doi: 10.1021/acs.jproteome.8b00485. Epub 2018 Oct 11. J Proteome Res. 2018. PMID: 30270626 Free PMC article. Review.
CASMI: And the Winner is . .
Schymanski EL, Neumann S. Schymanski EL, et al. Metabolites. 2013 May 24;3(2):412-39. doi: 10.3390/metabo3020412. Metabolites. 2013. PMID: 24957999 Free PMC article.
Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.
Schymanski EL, Gerlich M, Ruttkies C, Neumann S. Schymanski EL, et al. Mass Spectrom (Tokyo). 2014;3(Spec Iss 2):S0036. doi: 10.5702/massspectrometry.S0036. Epub 2014 Aug 16. Mass Spectrom (Tokyo). 2014. PMID: 26819879 Free PMC article.
SPLASH, a hashed identifier for mass spectra.
Wohlgemuth G, Mehta SS, Mejia RF, Neumann S, Pedrosa D, Pluskal T, Schymanski EL, Willighagen EL, Wilson M, Wishart DS, Arita M, Dorrestein PC, Bandeira N, Wang M, Schulze T, Salek RM, Steinbeck C, Nainala VC, Mistrik R, Nishioka T, Fiehn O. Wohlgemuth G, et al. Among authors: schymanski el. Nat Biotechnol. 2016 Nov 8;34(11):1099-1101. doi: 10.1038/nbt.3689. Nat Biotechnol. 2016. PMID: 27824832 Free PMC article. No abstract available.
Critical Assessment of Small Molecule Identification 2016: automated methods.
Schymanski EL, Ruttkies C, Krauss M, Brouard C, Kind T, Dührkop K, Allen F, Vaniya A, Verdegem D, Böcker S, Rousu J, Shen H, Tsugawa H, Sajed T, Fiehn O, Ghesquière B, Neumann S. Schymanski EL, et al. J Cheminform. 2017 Mar 27;9(1):22. doi: 10.1186/s13321-017-0207-1. J Cheminform. 2017. PMID: 29086042 Free PMC article.
83 results