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Analytical and Bioanalytical Chemistry|January 31, 2018
Performance of combined fragmentation and retention prediction for the identification of organic micropollutants by LC-HRMSMeng Hu, Erik Müller, Emma L Schymanski, et al.
Chemosphere|July 5, 2017
Qualitative screening for new psychoactive substances in wastewater collected during a city festival using liquid chromatography coupled to high-resolution mass spectrometryAna Causanilles, Juliet Kinyua, Christoph Ruttkies, et al.
BMC Bioinformatics|September 27, 2008
Building blocks for automated elucidation of metabolites: machine learning methods for NMR predictionStefan Kuhn, Björn Egert, Steffen Neumann, et al.
BMC Bioinformatics|September 17, 2008
Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurementsEva Lange, Ralf Tautenhahn, Steffen Neumann, et al.
Scientific Data|August 29, 2018
Computational workflow to study the seasonal variation of secondary metabolites in nine different bryophytesKristian Peters, Karin Gorzolka, Helge Bruelheide, et al.
Bioinformatics (Oxford, England)|October 14, 2004
Database driven test case generation for protein-protein dockingFrank Zöllner, Steffen Neumann, Franz Kummert, et al.
Frontiers in Bioengineering and Biotechnology|October 7, 2015
Joint Analysis of Dependent Features within Compound Spectra Can Improve Detection of Differential FeaturesDiana Trutschel, Stephan Schmidt, Ivo Grosse, et al.
Ecology and Evolution|October 2, 2018
Seasonal variation of secondary metabolites in nine different bryophytesKristian Peters, Karin Gorzolka, Helge Bruelheide, et al.
BMC Bioinformatics|March 24, 2010
In silico fragmentation for computer assisted identification of metabolite mass spectraSebastian Wolf, Stephan Schmidt, Matthias Müller-Hannemann, et al.
In Silico Biology|January 25, 2003
Comparing bound and unbound protein structures using energy calculation and rotamer statisticsKerstin Koch, Frank Zöllner, Steffen Neumann, et al.
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