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Enrichment of Chemical Libraries Docked to Protein Conformational Ensembles and Application to Aldehyde Dehydrogenase 2.

Bo WangCameron D. BuchmanLiwei LiThomas D. HurleySamy O. Meroueh
Published in: J. Chem. Inf. Model. (2014)
Keyphrases
  • decision trees
  • digital libraries
  • protein folding
  • social networks
  • benchmark datasets
  • amino acids
  • drug discovery