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Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design.

Puneet KackerMatteo MasettiMartina MangoldGiovanni BottegoniAndrea Cavalli
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • drug design
  • data mining
  • machine learning
  • dynamic programming
  • monitoring system