Kuhl, C., Tautenhahn, R., Böttcher, C., Larson, R. & Neumann, S. CAMERA: An integrated strategy for compound spectra extraction and annotation of LC/MS data sets. Anal Chem..84 (1), 283-289 (2011:doi 10.102) (2012)
Neumann, S., Thum, A. & Böttcher, C. Nearline acquisition and processing of liquid chromatography-tandem mass spectrometry data. Biomedical and Life Sciences. Metabolomics.DOI: 10.10, (2012)
Sansone, S.-A., Rocca-Serra, P., Field, D., Maguire, E., Taylor, C., Hofmann, O., Fang, H., Neumann, S., Tong, W., Amaral-Zettler, L., Begley, K., Booth, T., Bougueleret, L., Burns, G., Chapman, B., Clark, T., Coleman, L.-A., Copeland, J., Das, S., de Dar Toward interoperable bioscience data. Nature Genetics.44, 121-126 (2012)
Schymanski, E.L., Gallampois, C.M.J., Krauss, M., Meringer, M., Neumann, S., Schulze, T., Wolf, S. & Brack, W. Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties. Anal. Chem..DOI: 10.10, (2012)
2011
Deutsch, E.W., Chambers, M., Neumann, S., Levander, F., Binz, P.-A., Shofstahl, J., Campbell, D.S., Mendoza, L., Ovelleiro, D., Helsens, K., Martens, L., Aebersold, R., Moritz, R.L. & Brusniak, M.-Y. TraML: a standard format for exchange of selected reaction monitoring transition lists. Mol Cell Proteomics.doi: 10.10, (2011)
Hildebrandt, C., Wolf, S. & Neumann, S. Database supported candidate search for Metabolite identification. Journal of Integrative Bioinformatics.8 (2), 157 (2011)
2010
Horai, H., Arita, M., Kanaya, S., Nihei, Y., Ikeda, T., Suwa, K., Ojima, Y., Tanaka, K., Tanaka, S., Aoshima, K., Oda, Y., Kakazu, Y., Kusano, M., Tohege, T., Matsuda, F., Sawada, Y., Hirai, M.Y., Nakanishi, H., Ikeda, K., Akimoto, N., Maoko, T., Takahash MassBank: a public repository for sharing mass spectral data for life sciences. Journal of Mass Spectrometrie.45, 703-714, Issue 7 (2010)
Kettner, C., Field, D., Sansone, S.-A., Taylor, C., Aerts, J., Binns, N., Blake, A., Britten, C.M., de Marco, A., Fostel, J., Gaudet, P., González-Beltrán, A., Hardy, N., Hellemans, J., Hermjakob, H., Juty, N., Leebens-Mack, J., Maguire, E., Neumann, S., Meeting Report from the Second “Minimum Information for Biological and Biomedical Investigations” (MIBBI) workshop. Stand. Genomic Sci. .3 (3), 259-66 (2010)
Martens, L. Chambers, M. Sturm, M., Kessner, D., Levander, F., Shofstahl, J., Tang, W.H., Rompp, A., Neumann, S., Pizarro, A.D., Montecchi-Palazzi, L., Tasman, N., Coleman, M., Reisinger, F., Souda, P., Hermjakob, H., Binz, P.-A. & Deutsch, E.W. mzML - a Community Standard for Mass Spectrometry Data. Molecular & Cellular Proteomics. (2010)
Neumann, S. & Böcker, S. Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules . Analytical and Bioanalytical Chemistry.398, 2779-2788 (2010)
Rocca-Serra, P., Brandizi, M., Maguire, E., Sklyar, N., Taylor, C., Begley, K., Field, D., Harris, S., Hilde, W., Hofmann, O., Neumann, S., Sterk, P., Tong, W. & Sansone, S.-A. ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level. Bioinformatics.2354-2356, 26, Issue 18 (2010)
Wolf, S. , Schmidt, S., Müller-Hannemann, M. & Neumann, S. In silico fragmentation for computer assisted identification of metabolite mass spectra. BMC Bioinformatics 2010.148, 11 (2010)
2008
Kuhn, S., Egert, B., Neumann, S. & Steinbeck, C. Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction. BMC Bioinformatics.9, 400 (2008)
Lange, E., Tautenhahn, R., Neumann, S. & Gröpl, C. Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements. BMC Bioinformatics.9, 375 (2008)
Tautenhahn, R., Böttcher, C. & Neumann, S. Highly sensitive feature detection for high resolution LC/MS. BMC Bioinformatics.9, 504 (2008)
2007
Egert, B., Neumann, S. & Hinneburg, A. Fast Approximate Duplicate Detection for 2D-NMR Spectra. Proceedings of DILS . (2007)
Gaida, A. & Neumann, S. MetHouse: Raw and Preprocessed Mass Spectrometry Data. J. Integr. Bioinf..4, 56 (2007)
Grosse, I., Funke, T., Künne, C., Neumann, S., Stephanik, A., Thiel, T. & Weise, S. Integrative Datenanalyse mit dem Plant Data Warehouse. Ausgewählte Vorträge aus GPZ-Arbeitsgemeinschaften. 2006. (2007)
Tautenhahn, R., Böttcher, C. & Neumann, S. Annotation of LC/ESI-MS Mass Signals. BIRD 2007 Proc. of BIRD 2007 - 1st International Conference on Bioinformatics Research and Development 2007. (2007)
2006
Tautenhahn, R., Ihlow, A. & Seiffert, U. Adaptive Feature Selection for Classification of Microscope Images. In: Fuzzy Logic and Applications, 6th International Workshop, WILF 2005. Lecture Notes.3849, 215-222 (2006)
2005
Zöllner, F., Neumann, S., Kummert, S. & Sagerer, G. Database driven test case generation for protein-protein docking. Bioinformatics.21, 683-684 (2005)
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