Towards Evaluation of Docking Hypotheses using elastic Matching. - Steffen Neumann; Stefan Posch; Gerhard Sagerer (German Conference on Bioinformatics, 1999)

Comparing bound and unbound protein structures using energy calculation and rotamer statistics. - Kerstin Koch; Frank Zöllner 001; Steffen Neumann; Franz Kummert; Gerhard Sagerer (Silico Biol., 2002)

Database driven test case generation for protein?Cprotein docking. - Frank Zöllner 001; Steffen Neumann; Franz Kummert; Gerhard Sagerer (Bioinform., 2005)

Storage and Processing of Mass Spectrometry Data. - Sebastian Klie; Steffen Neumann (DEXA Workshops, 2006)

Annotation of LC/ESI-MS Mass Signals. - Ralf Tautenhahn; Christoph Böttcher; Steffen Neumann (BIRD, 2007)

Fast Approximate Duplicate Detection for 2D-NMR Spectra. - Björn Egert; Steffen Neumann; Alexander Hinneburg (DILS, 2007)

Workshop on Knowledge Discovery, Data Mining, and Machine Learning and Workshop on Bioinformatics. - Alexander Hinneburg; Ralf Klinkenberg; Ingo Mierswa; Stefan Posch; Steffen Neumann (LWA, 2007)

MetHouse: Raw and Preprocessed Mass Spectrometry Data. - Antje Gaida; Steffen Neumann (J. Integr. Bioinform., 2007)

Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction. - Stefan Kuhn 001; Björn Egert; Steffen Neumann; Christoph Steinbeck (BMC Bioinform., 2008)

Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements. - Eva Lange; Ralf Tautenhahn; Steffen Neumann; Clemens Gröpl (BMC Bioinform., 2008)

Highly sensitive feature detection for high resolution LC/MS. - Ralf Tautenhahn; Christoph Böttcher; Steffen Neumann (BMC Bioinform., 2008)

ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level. - Philippe Rocca-Serra; Marco Brandizi; Eamonn Maguire; Nataliya Sklyar; Chris F. Taylor; Kimberly Begley; Dawn Field; Stephen C. Harris; Winston Hide; Oliver Hofmann 001; Steffen Neumann; Peter Sterk; et al. (Bioinform., 2010)

In silico fragmentation for computer assisted identification of metabolite mass spectra. - Sebastian Wolf; Stephan Schmidt; Matthias Müller-Hannemann; Steffen Neumann (BMC Bioinform., 2010)

Database supported candidate search for Metabolite identification. - Christian Hildebrandt; Sebastian Wolf; Steffen Neumann (J. Integr. Bioinform., 2011)

Ontological analysis of controlled vocabularies used in PSI/MSI supported XML standards. - Daniel Schober; Gerhard Mayer; Annick Moing; Martin Eisenacher; Steffen Neumann (GI-Jahrestagung, 2013)

MetaboLights - an open-access general-purpose repository for metabolomics studies and associated meta-data. - Kenneth Haug; Reza M. Salek; Pablo Conesa; Janna Hastings; Paula de Matos; Mark Rijnbeek; Tejasvi Mahendraker; Mark Williams; Steffen Neumann; Philippe Rocca-Serra; Eamonn Maguire; Alejandra N. González-Beltrán; et al. (Nucleic Acids Res., 2013)

The Risa R/Bioconductor package: integrative data analysis from experimental metadata and back again. - Alejandra N. González-Beltrán; Steffen Neumann; Eamonn Maguire; Susanna-Assunta Sansone; Philippe Rocca-Serra (BMC Bioinform., 2014)

IPO: a tool for automated optimization of XCMS parameters. - Gunnar Libiseller; Michaela Dvorzak; Ulrike Kleb; Edgar Gander; Tobias Eisenberg; Frank Madeo; Steffen Neumann; Gert Trausinger; Frank Sinner; Thomas Pieber 001; Christoph Magnes (BMC Bioinform., 2015)

BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology. - Pablo A. Moreno; Stephan Beisken; Bhavana Harsha; Venkatesh Muthukrishnan; Ilinca Tudose; Adriano Dekker; Stefanie Dornfeldt; Franziska Taruttis; Ivo Grosse; Janna Hastings; Steffen Neumann; Christoph Steinbeck (BMC Bioinform., 2015)

Towards standardized evidence descriptors for metabolite annotations. - Daniel Schober; Reza M. Salek; Steffen Neumann (ODLS, 2016)

MetFrag relaunched: incorporating strategies beyond in silico fragmentation. - Christoph Ruttkies; Emma Schymanski; Sebastian Wolf; Juliane Hollender; Steffen Neumann (J. Cheminformatics, 2016)

The future of metabolomics in ELIXIR. - Merlijn N. van Rijswijk; Charlie Beirnaert; Christophe Caron; Marta Cascante; Victoria Dominguez Del Angel; Warwick B. Dunn; Timothy M. D. Ebbels; Franck Giacomoni; Alejandra N. González-Beltrán; Thomas Hankemeier; Kenneth Haug; Jose L. Izquierdo-García; et al. (F1000Research, 2017)

Critical Assessment of Small Molecule Identification 2016: automated methods. - Emma Schymanski; Christoph Ruttkies; Martin Krauss; Céline Brouard; Tobias Kind; Kai Dührkop; Felicity Allen; Arpana Vaniya; Dries Verdegem; Sebastian Böcker; Juho Rousu; Huibin Shen; et al. (J. Cheminformatics, 2017)

Computational Metabolomics (NII Shonan Meeting 2017-3). - Masanori Arita; Sebastian Böcker; Steffen Neumann (NII Shonan Meet. Rep., 2017)

Interoperable and scalable data analysis with microservices: applications in metabolomics. - Payam Emami Khoonsari; Pablo A. Moreno; Sven Bergmann; Joachim Burman; Marco Capuccini; Matteo Carone; Marta Cascante; Pedro de Atauri; Carles Foguet; Alejandra N. González-Beltrán; Thomas Hankemeier; Kenneth Haug; et al. (Bioinform., 2019)

Improving MetFrag with statistical learning of fragment annotations. - Christoph Ruttkies; Steffen Neumann; Stefan Posch (BMC Bioinform., 2019)

Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. - Emma Schymanski; Todor Kondic; Steffen Neumann; Paul A. Thiessen; Jian Zhang 038; Evan Bolton (J. Cheminformatics, 2021)

Schema.org as a Lightweight Harmonization Approach for NFDI. - Leyla Jael Castro; Juliane Fluck; Daniel Arend; Matthias Lange 001; Daniel Martini; Steffen Neumann; Sonja Schimmler; Dietrich Rebholz-Schuhmann (CoRDI, 2023)

Digitalizing the Chemical Landscape: A Comprehensive Overview and Progress Report of NFDI4Chem. - Oliver Koepler; Christoph Steinbeck; Felix Bach; Sonja Herres-Pawlis; Nicole Jung; Johannes Liermann; Steffen Neumann; Matthias Razum (CoRDI, 2023)

Harmonising, Harvesting, and Searching Metadata Across a Repository Federation. - Steffen Neumann; Felix Bach; Leyla Jael Castro; Tillmann Fischer; Stefan Hofmann; Pei-Chi Huang; Nicole Jung; Bhavin Katabathuni; Fabian Mauz; René Meier 002; Venkata Chandrasekhar Nainala; Noura Rayya; et al. (CoRDI, 2023)

Ontologies for increasing the FAIRness of plant research data. - Kathryn Dumschott; Hannah Dörpholz; Marie-Angélique Laporte; Dominik Brilhaus; Andrea Schrader; Björn Usadel; Steffen Neumann; Elizabeth Arnaud; Angela Kranz (CoRR, 2023)