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Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields.

Timothy R. LucasBrad A. BauerJoseph E. DavisSandeep Patel
Published in: J. Comput. Chem. (2012)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • computer vision
  • fluid flow
  • database
  • data collection
  • numerical simulations
  • fault tolerant