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Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions.

William L. JorgensenToan B. Nguyen
Published in: J. Comput. Chem. (1993)
Keyphrases
  • monte carlo simulation
  • potential functions
  • markov random field
  • monte carlo
  • markov chain
  • maximum entropy
  • pairwise
  • random fields
  • weighted sums
  • prior knowledge
  • natural language
  • denoising
  • level set