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Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics.

Mikolai FajerRobert V. SwiftJames Andrew McCammon
Published in: J. Comput. Chem. (2009)
Keyphrases
  • free energy
  • molecular dynamics
  • belief propagation
  • load balancing
  • image sequences
  • upper bound
  • peer to peer
  • model selection
  • high performance computing