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The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area.

Paul Labute
Published in: J. Comput. Chem. (2008)
Keyphrases
  • computer vision
  • similarity measure
  • training set
  • prior knowledge
  • probabilistic model
  • mutual information
  • em algorithm
  • parameter estimation