Publications

• Hildebrandt, C., Wolf, S. & Neumann, S. Database supported candidate search for Metabolite identification. Journal of Integrative Bioinformatics. 8 (2), 157 (2011)

• 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.. doi 10.102, (2011)

• 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)

• 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)

• 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)

• 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)

• Zöllner, F., Neumann, S., Kummert, S. & Sagerer, G. Database driven test case generation for protein-protein docking. Bioinformatics. 21, 683-684 (2005)