Fast and efficient in silico 3D screening: Toward maximum computational efficiency of pharmacophore-based and shape-based approaches

Johannes Kirchmair, Stojanka Ristic, Kathrin Eder, Patrick Markt, Gerhard Wolber, Christian Laggner, Thierry Langer (Corresponding author)

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Pages (from-to)2182-2196
Number of pages15
JournalJournal of Chemical Information and Modeling
Volume47
Issue number6
DOIs
Publication statusPublished - 2007
Externally publishedYes

Austrian Fields of Science 2012

  • 301207 Pharmaceutical chemistry

Keywords

  • PROTEIN-BOUND LIGANDS
  • CONFORMATIONAL SPACE
  • INHIBITORS
  • CATALYST
  • RECEPTOR
  • BINDING
  • DESIGN
  • KINASES
  • MODELS

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