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Novel Inhibitors of Trihydroxynaphthalene Reductase with Antifungal Activity Identified by Ligand-Based and Structure-Based Virtual Screening.

Mojca Brunskole SvegeljSamo TurkBoris BrusTea Lanisnik RiznerJure StojanStanislav Gobec
Published in: J. Chem. Inf. Model. (2011)
Keyphrases
  • virtual screening
  • drug discovery
  • similarity searching
  • chemical structures
  • database
  • database systems
  • binding sites
  • scoring function
  • data sets
  • data mining
  • similarity measure