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Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2.

Matthew P. BaumgartnerDavid A. Evans
Published in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
  • lessons learned
  • data sets
  • grand challenge
  • database
  • data collection
  • data processing
  • data analysis
  • data sources
  • case study
  • databases
  • machine learning
  • drug design