Christoph Steinbeck

Summary

Affiliation: University of Cologne
Country: Germany

Publications

  1. ncbi The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics
    Christoph Steinbeck
    Max Planck Institute of Chemical Ecology, Jena, Germany
    J Chem Inf Comput Sci 43:493-500. 2003
  2. pmc Bioclipse: an open source workbench for chemo- and bioinformatics
    Ola Spjuth
    Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden
    BMC Bioinformatics 8:59. 2007
  3. ncbi Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics
    Christoph Steinbeck
    Cologne University Bioinformatics Center CUBIC, Germany
    Curr Pharm Des 12:2111-20. 2006
  4. ncbi NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database
    Christoph Steinbeck
    Max Planck Institute of Chemical Ecology, Hans Knöll Str 8, D 07745 Jena, Germany
    Phytochemistry 65:2711-7. 2004
  5. ncbi Recent developments in automated structure elucidation of natural products
    Christoph Steinbeck
    Cologne University Bioinformatics Center CUBIC, Zulpicher Strasse 47, 50674 Koln, Germany
    Nat Prod Rep 21:512-8. 2004
  6. ncbi Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data
    Stefan Kuhn
    Cologne University Bioinformatics Center CUBIC, Cologne, Germany
    J Chem Inf Model 47:2015-34. 2007
  7. pmc Userscripts for the life sciences
    Egon L Willighagen
    Cologne University Bioinformatics Center, Cologne University, Cologne, Germany
    BMC Bioinformatics 8:487. 2007
  8. ncbi Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials
    Christian Hoppe
    Orion Pharma, Medicinal Chemistry, P O Box 65, FIN 02101 Espoo, Finland
    J Mol Graph Model 24:328-40. 2006
  9. ncbi The Blue Obelisk-interoperability in chemical informatics
    Rajarshi Guha
    Pennsylvania State University, University Park, Pennsylvania 16804 3000, Jmol Project, USA
    J Chem Inf Model 46:991-8. 2006
  10. ncbi Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway
    Angéla Schenk
    Dept of Biomolecular Chemistry, Leibniz Institute for Natural Product Research and Infection Biology HKI, Beutenbergstrasse 11a, 07745 Jena, Germany
    Angew Chem Int Ed Engl 46:7035-8. 2007

Collaborators

Detail Information

Publications10

  1. ncbi The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics
    Christoph Steinbeck
    Max Planck Institute of Chemical Ecology, Jena, Germany
    J Chem Inf Comput Sci 43:493-500. 2003
    ..Application scenarios as well as access information for interested users and potential contributors are given...
  2. pmc Bioclipse: an open source workbench for chemo- and bioinformatics
    Ola Spjuth
    Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden
    BMC Bioinformatics 8:59. 2007
    ..No open source chemoinformatics workbench has previously been published, and no successful attempts have been made to integrate chemo- and bioinformatics into a single framework...
  3. ncbi Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics
    Christoph Steinbeck
    Cologne University Bioinformatics Center CUBIC, Germany
    Curr Pharm Des 12:2111-20. 2006
    ..This article introduces the CDK's new QSAR capabilities and the recently introduced interface to statistical software...
  4. ncbi NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database
    Christoph Steinbeck
    Max Planck Institute of Chemical Ecology, Hans Knöll Str 8, D 07745 Jena, Germany
    Phytochemistry 65:2711-7. 2004
    ..Its functionality includes (sub-) spectra and (sub-) structure searches as well as shift prediction of 13C spectra based on the current database material...
  5. ncbi Recent developments in automated structure elucidation of natural products
    Christoph Steinbeck
    Cologne University Bioinformatics Center CUBIC, Zulpicher Strasse 47, 50674 Koln, Germany
    Nat Prod Rep 21:512-8. 2004
    ..A number of new programs,as well as advancements in existing ones, are presented. Finally, the option to validate the result by an independent procedure, a high quality ab initio quantum mechanical calculation, is discussed...
  6. ncbi Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data
    Stefan Kuhn
    Cologne University Bioinformatics Center CUBIC, Cologne, Germany
    J Chem Inf Model 47:2015-34. 2007
    ..The paper describes the CMLElements used and gives practical examples for common types of spectra. In addition it demonstrates how different views of the data can be expressed and what problems still exist...
  7. pmc Userscripts for the life sciences
    Egon L Willighagen
    Cologne University Bioinformatics Center, Cologne University, Cologne, Germany
    BMC Bioinformatics 8:487. 2007
    ..This opens possibilities to aggregate information and computational results from different web resources into the web page of one of those resources...
  8. ncbi Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials
    Christian Hoppe
    Orion Pharma, Medicinal Chemistry, P O Box 65, FIN 02101 Espoo, Finland
    J Mol Graph Model 24:328-40. 2006
    ..The results are in good accordance with structure-based analysis and highlight important differences of the binding sites, which have been also described in the literature...
  9. ncbi The Blue Obelisk-interoperability in chemical informatics
    Rajarshi Guha
    Pennsylvania State University, University Park, Pennsylvania 16804 3000, Jmol Project, USA
    J Chem Inf Model 46:991-8. 2006
    ....
  10. ncbi Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway
    Angéla Schenk
    Dept of Biomolecular Chemistry, Leibniz Institute for Natural Product Research and Infection Biology HKI, Beutenbergstrasse 11a, 07745 Jena, Germany
    Angew Chem Int Ed Engl 46:7035-8. 2007