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Molecular motions in drug design: the coming age of the metadynamics method.

Xevi BiarnésSalvatore BongarzoneAttilio Vittorio VargiuPaolo CarloniPaolo Ruggerone
Published in: J. Comput. Aided Mol. Des. (2011)
Keyphrases
  • high accuracy
  • drug design
  • pairwise
  • preprocessing
  • data analysis
  • high precision
  • dynamic programming
  • combinatorial optimization