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Conformational analysis of thiopeptides: derivation of sp2 sulfur parameters for the CFF91 force field.

Tran Trung TranHerbert R. TreutleinAntony W. Burgess
Published in: J. Comput. Chem. (2001)
Keyphrases
  • force field
  • parameter estimation
  • maximum likelihood
  • expectation maximization
  • active contours