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Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations.

Cristiano Ruch Werneck GuimarãesAlan M. Mathiowetz
Published in: J. Chem. Inf. Model. (2010)
Keyphrases
  • similarity measure
  • probabilistic model
  • free energy
  • neural network
  • three dimensional
  • prior knowledge
  • belief propagation
  • prior information
  • active learning
  • input data
  • bayesian inference