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Accelerating molecular monte carlo simulations using distance and orientation-dependent energy tables: Tuning from atomistic accuracy to smoothed "coarse-grained" models.

Steven LettieriDaniel M. Zuckerman
Published in: J. Comput. Chem. (2012)
Keyphrases
  • monte carlo simulation
  • coarse grained
  • fine grained
  • low energy
  • monte carlo
  • information retrieval
  • classification accuracy
  • information retrieval systems
  • high level
  • markov chain
  • energy landscape