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Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein.

Freya KlepschPeter ChibaGerhard F. Ecker
Published in: PLoS Comput. Biol. (2011)
Keyphrases
  • hiv protease
  • fine grained
  • coarse grained
  • neural network
  • sample size
  • hypothesis testing
  • databases
  • information retrieval
  • artificial intelligence
  • computer vision
  • parameter space
  • brute force
  • sampling algorithm