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Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets.

Joana MagalhãesGiannamaria AnnunziatoNina FrankoMarco PieroniBarbara CampaniniAgostino BrunoGabriele Costantino
Published in: J. Chem. Inf. Model. (2018)
Keyphrases
  • sampling methods
  • random sampling
  • sampling algorithm
  • multi class
  • worst case
  • principal component analysis
  • data integration
  • original data
  • class imbalance