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Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration.

Cameron AbramsGiovanni Bussi
Published in: Entropy (2014)
Keyphrases
  • molecular dynamics
  • high performance computing
  • molecular dynamics simulations
  • scientific data
  • load balancing
  • database
  • peer to peer
  • fault tolerance
  • protein folding
  • data mining
  • fault tolerant