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Coarse-grained and all-atom MD simulations with Gromacs based on CELLmicrocosmos 2.2 model membranes.

Björn SommerTim DingersenChristian GamrothAndré J. HeissmannGunther LukatRalf RotzollSebastian RubertAlexander SchäferJens Krüger
Published in: J. Cheminformatics (2011)
Keyphrases
  • coarse grained
  • fine grained
  • high level
  • probabilistic model
  • energy function