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Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution.

Caterina BenziRoberto ImprotaGiovanni ScalmaniVincenzo Barone
Published in: J. Comput. Chem. (2002)
Keyphrases
  • theoretical framework
  • evolutionary algorithm
  • experimental study
  • integer programming
  • data sets
  • neural network
  • feature selection
  • linear programming
  • statistically significant
  • closed form
  • simulation study