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QM/MM As a Tool in Fragment Based Drug Discovery. A Cross-Docking, Rescoring Study of Kinase Inhibitors.

Matthew Paul GleesonDuangkamol Gleeson
Published in: J. Chem. Inf. Model. (2009)
Keyphrases
  • drug discovery
  • statistical analysis
  • preprocessing
  • database
  • real world
  • machine learning
  • social networks
  • learning process
  • structural properties
  • chemical compounds