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Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques.

Frank H. AllenStephanie E. HarrisRobin Taylor
Published in: J. Comput. Aided Mol. Des. (1996)
Keyphrases
  • higher order
  • data sets
  • high level
  • probability distribution
  • protein folding
  • real time
  • neural network
  • artificial intelligence
  • three dimensional
  • graph cuts
  • random variables
  • transition probabilities