Böcker, Sebastian

Integrative analysis of multimodal mass spectrometry data in MZmine 3

Schmid, R., Heuckeroth, S., Korf, A., Smirnov, A., Myers, O., Dyrlund, T. S., Bushuiev, R., Murray, K. J., Hoffmann, N., Lu, M., et al. (2023) · Nature Biotechnology

Metabolomics and Mass Spectrometry StudiesMass Spectrometry Techniques and Applications

Cited by 1,241

Searching molecular structure databases with tandem mass spectra using CSI:FingerID

Dührkop, K., Shen, H., Meusel, M., Rousu, J., & Böcker, S. (2015) · Proceedings of the National Academy of Sciences

Metabolomics and Mass Spectrometry StudiesMass Spectrometry Techniques and Applications

Cited by 1,190

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

Dührkop, K., Nothias, L.-F., Fleischauer, M., Reher, R., Ludwig, M., Hoffmann, M. A., Petras, D., Gerwick, W. H., Rousu, J., Dorrestein, P. C., et al. (2021) · Nature Biotechnology

Metabolomics and Mass Spectrometry StudiesMass Spectrometry Techniques and Applications

Cited by 860

High-confidence structural annotation of metabolites absent from spectral libraries

Hoffmann, M. A., Nothias, L.-F., Ludwig, M., Fleischauer, M., Gentry, E. C., Witting, M., Dorrestein, P. C., Dührkop, K., & Böcker, S. (2022) · Nature Biotechnology

Metabolomics and Mass Spectrometry StudiesComputational Drug Discovery Methods

Cited by 388

MSNovelist: de novo structure generation from mass spectra

Stravs, M. A., Dührkop, K., Böcker, S., & Zamboni, N. (2022) · Nature Methods

Mass Spectrometry Techniques and ApplicationsComputational Drug Discovery Methods

Cited by 226