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Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.

Wiktoria JedwabnyJoanna Panecka-HofmanEdyta Dyguda-KazimierowiczRebecca C. WadeW. Andrzej Sokalski
Published in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
  • databases
  • computer vision
  • application specific
  • real time
  • genetic algorithm
  • clustering algorithm
  • user interface