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Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics.

Oliver F. LangeLars V. SchäferHelmut Grubmüller
Published in: J. Comput. Chem. (2006)
Keyphrases
  • molecular dynamics
  • high performance computing
  • scientific data
  • molecular dynamics simulations
  • protein folding
  • fluid flow
  • data mining
  • fine grained
  • computing systems