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Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway.

Sonja Herres-PawlisAlexander HoffmannLuis de la GarzaJens KrügerSandra GesingRichard GrunzkeWolfgang E. NagelGábor TerstyánszkyNoam Weingarten
Published in: IWSG (2014)
Keyphrases
  • molecular dynamics
  • quantum mechanics
  • high performance computing
  • scientific data
  • molecular dynamics simulations
  • data processing
  • protein folding
  • databases
  • computer vision
  • building blocks