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  • Martin Vogt, Dagmar Stumpfe, Hanna Geppert, Jürgen Bajorath
  • Medicine, Chemistry
  • Journal of medicinal chemistry
  • 2010 (First Publication: 15 July 2010)
  • The scaffold hopping potential of popular 2D fingerprints has been thoroughly investigated. We have found that these types of fingerprints have at least limited scaffold hopping ability includingExpand
  • Dagmar Stumpfe, Hanna Geppert, Jürgen Bajorath
  • Medicine, Chemistry
  • Chemical biology & drug design
  • 2008 (First Publication: 1 June 2008)
  • The identification of small molecules that are selective for individual targets within target families is an important task in chemical biology. We aim at the development of computational approachesExpand
  • Dagmar Stumpfe, Anke Bill, +9 authors Jürgen Bajorath
  • Biology, Medicine
  • ACS chemical biology
  • 2010 (First Publication: 20 July 2010)
  • Virtual screening (VS) of chemical libraries formatted in silico provides an alternative to experimental high-throughput screening (HTS) for the identification of small molecule modulators of proteinExpand