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Generalized Alteration of Structure and Parameters: A New Method for Free- Energy Perturbations in Systems Containing Flexible Degrees of Freedom.

Daniel L. SeveranceJonathan W. EssexWilliam L. Jorgensen
Published in: J. Comput. Chem. (1995)
Keyphrases
  • degrees of freedom
  • pairwise
  • machine learning
  • unsupervised learning
  • pose estimation
  • neural network
  • image processing
  • prior knowledge
  • probabilistic model
  • maximum likelihood
  • model selection
  • parameter estimation