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Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.

Shalini AwasthiVenkat KapilNisanth N. Nair
Published in: J. Comput. Chem. (2016)
Keyphrases
  • free energy
  • random sampling
  • fixed point
  • neural network
  • image processing
  • probabilistic model
  • regression model