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A novel approach for designing simple point charge models for liquid water with three interaction sites.

Alice GlättliXavier DauraWilfred F. van Gunsteren
Published in: J. Comput. Chem. (2003)
Keyphrases
  • statistical models
  • parameter estimation
  • statistical model
  • computational models
  • neural network
  • machine learning
  • case study
  • three dimensional
  • multiscale
  • prior knowledge