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Using Free Energy of Binding Calculations To Improve the Accuracy of Virtual Screening Predictions.

Robert D. MalmstromStanley J. Watowich
Published in: J. Chem. Inf. Model. (2011)
Keyphrases
  • free energy
  • data sets
  • feature selection
  • higher order
  • lower bound
  • fixed point
  • drug discovery
  • virtual screening