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Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations.

Linda Yu ZhangEmilio GallicchioRichard A. FriesnerRonald M. Levy
Published in: J. Comput. Chem. (2001)
Keyphrases
  • probabilistic model
  • experimental data
  • data sets
  • machine learning
  • decision trees
  • three dimensional
  • complex systems
  • statistical models
  • computational models
  • surface reconstruction
  • surface model