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Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats.

S. StalterLeonid YelashN. EmamyAntonia StattMartin HankeMária Lukácová-Medvid'ováPeter Virnau
Published in: Comput. Phys. Commun. (2018)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • scientific data
  • high performance computing
  • databases
  • computer vision
  • digital libraries
  • protein folding