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Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA.

Giulio RastelliAlberto Del RioGianluca DegliespostiMiriam Sgobba
Published in: J. Comput. Chem. (2010)
Keyphrases
  • average error
  • rms error
  • higher order
  • database
  • databases
  • graph cuts
  • augmented reality
  • clinical setting
  • data sets
  • neural network
  • clustering algorithm
  • cross section