| SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information K Dührkop, M Fleischauer, M Ludwig, AA Aksenov, AV Melnik, M Meusel, ... Nature methods 16 (4), 299-302, 2019 | 1881 | 2019 |
| Feature-based molecular networking in the GNPS analysis environment LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer, A Sarvepalli, ... Nature methods 17 (9), 905-908, 2020 | 1498 | 2020 |
| Searching molecular structure databases with tandem mass spectra using CSI:FingerID K Dührkop, H Shen, M Meusel, J Rousu, S Böcker Proceedings of the National Academy of Sciences 112 (41), 12580-12585, 2015 | 1244 | 2015 |
| Integrative analysis of multimodal mass spectrometry data in MZmine 3 R Schmid, S Heuckeroth, A Korf, A Smirnov, O Myers, TS Dyrlund, ... Nature biotechnology 41 (4), 447-449, 2023 | 981 | 2023 |
| Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra K Dührkop, LF Nothias, M Fleischauer, R Reher, M Ludwig, MA Hoffmann, ... Nature biotechnology 39 (4), 462-471, 2021 | 764 | 2021 |
| SIRIUS: decomposing isotope patterns for metabolite identification S Böcker, MC Letzel, Z Lipták, A Pervukhin Bioinformatics 25 (2), 218-224, 2009 | 424 | 2009 |
| Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment R Schmid, D Petras, LF Nothias, M Wang, AT Aron, A Jagels, H Tsugawa, ... Nature communications 12 (1), 3832, 2021 | 294 | 2021 |
| Fragmentation trees reloaded S Böcker, K Dührkop Journal of cheminformatics 8 (1), 5, 2016 | 277 | 2016 |
| High-confidence structural annotation of metabolites absent from spectral libraries MA Hoffmann, LF Nothias, M Ludwig, M Fleischauer, EC Gentry, M Witting, ... Nature Biotechnology 40 (3), 411-421, 2022 | 271 | 2022 |
| Critical assessment of small molecule identification 2016: automated methods EL Schymanski, C Ruttkies, M Krauss, C Brouard, T Kind, K Dührkop, ... Journal of cheminformatics 9 (1), 22, 2017 | 225 | 2017 |
| Database-independent molecular formula annotation using Gibbs sampling through ZODIAC M Ludwig, LF Nothias, K Dührkop, I Koester, M Fleischauer, MA Hoffmann, ... Nature Machine Intelligence 2 (10), 629-641, 2020 | 218 | 2020 |
| Significance estimation for large scale metabolomics annotations by spectral matching K Scheubert, F Hufsky, D Petras, M Wang, LF Nothias, K Dührkop, ... Nature Communications 8 (1), 1494, 2017 | 217 | 2017 |
| Computational mass spectrometry for metabolomics: identification of metabolites and small molecules S Neumann, S Böcker Analytical and bioanalytical chemistry 398 (7), 2779-2788, 2010 | 213 | 2010 |
| MSNovelist: de novo structure generation from mass spectra MA Stravs, K Dührkop, S Böcker, N Zamboni Nature Methods 19 (7), 865-870, 2022 | 205 | 2022 |
| Fragmentation-based methods and systems for sequence variation detection and discovery D Van Den Boom, S Boecker US Patent 7,820,378, 2010 | 198 | 2010 |
| Base-specific fragmentation of amplified 16S rRNA genes analyzed by mass spectrometry: a tool for rapid bacterial identification F Von Wintzingerode, S Böcker, C Schlötelburg, NHL Chiu, N Storm, ... Proceedings of the National Academy of Sciences 99 (10), 7039-7044, 2002 | 196 | 2002 |
| Computing fragmentation trees from tandem mass spectrometry data F Rasche, A Svatos, RK Maddula, C Böttcher, S Böcker Analytical Chemistry 83 (4), 1243-1251, 2011 | 185 | 2011 |
| Computational mass spectrometry for small molecules K Scheubert, F Hufsky, S Böcker Journal of cheminformatics 5 (1), 12, 2013 | 183 | 2013 |
| High-throughput MALDI-TOF discovery of genomic sequence polymorphisms P Stanssens, M Zabeau, G Meersseman, G Remes, Y Gansemans, ... Genome research 14 (1), 126-133, 2004 | 179 | 2004 |
| Towards de novo identification of metabolites by analyzing tandem mass spectra S Böcker, F Rasche Bioinformatics 24 (16), i49-i55, 2008 | 172 | 2008 |
Kai DührkopPhD, Lehrstuhl Bioinformatik, Friedrich-Schiller Universität JenaVerified email at uni-jena.de
