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Application of Docking and QM/MM-GBSA Rescoring to Screen for Novel Myt1 Kinase Inhibitors.

Kanin WichapongAlexander RoheCharlott PlatzerInna SlynkoFrank ErdmannMatthias SchmidtWolfgang Sippl
Published in: J. Chem. Inf. Model. (2014)
Keyphrases
  • user interface
  • database
  • data sets
  • real world
  • learning algorithm
  • artificial intelligence
  • feature selection
  • image processing
  • multiscale
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  • fine grained
  • average error