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Implementation of adaptive integration method for free energy calculations in molecular systems.

Christopher A. MirabzadehF. Marty Ytreberg
Published in: PeerJ Comput. Sci. (2020)
Keyphrases
  • dynamic programming
  • mutual information
  • generative model
  • machine learning
  • similarity measure
  • probabilistic model
  • segmentation method
  • cross validation
  • prior information
  • energy minimization
  • free energy