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Accounting for Target Flexibility and Water Molecules by Docking to Ensembles of Target Structures: The HCV NS5B Palm Site I Inhibitors Case Study.

Maria Letizia BarrecaNunzio IraciGiuseppe ManfroniRosy GaetaniChiara GuerciniStefano SabatiniOriana TabarriniVioletta Cecchetti
Published in: J. Chem. Inf. Model. (2014)
Keyphrases
  • case study
  • website
  • real time
  • decision trees
  • neural network
  • machine learning
  • learning algorithm
  • moving target
  • molecular structure