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Structure-based prediction of free energy changes of binding of PTP1B inhibitors.

Jing WangShek Ling ChanKal Ramnarayan
Published in: J. Comput. Aided Mol. Des. (2003)
Keyphrases
  • free energy
  • neural network
  • approximate inference
  • machine learning
  • image sequences
  • high quality
  • hidden markov models
  • human immunodeficiency virus