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Soft-core potentials in thermodynamic integration: Comparing one- and two-step transformations.

Thomas SteinbrecherInSuk JoungDavid A. Case
Published in: J. Comput. Chem. (2011)
Keyphrases
  • data integration
  • data fusion
  • multiscale
  • search algorithm
  • lower bound
  • multiresolution
  • post processing
  • experimental data
  • preprocessing step
  • potential functions