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Efficient exploration of conformational space using the stochastic search method: application to -peptide oligomers.

Jayaraman ChandrasekharMartin R. SaundersWilliam L. Jorgensen
Published in: J. Comput. Chem. (2001)
Keyphrases
  • stochastic search
  • clustering method
  • objective function
  • cost function
  • support vector machine svm
  • data sets
  • search space
  • dynamic programming
  • dimension reduction
  • qualitative and quantitative