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Advanced Calculations and Visualization of Enzymatic Reactions with the Combined Quantum Classical Molecular Dynamics Code.

Piotr BalaPawel GrochowskiKrzysztof NowinskiTerry W. ClarkBogdan LesyngJames Andrew McCammon
Published in: PARA (1998)
Keyphrases
  • molecular dynamics
  • quantum computation
  • scientific data
  • high performance computing
  • source code
  • quantum mechanics
  • data analysis
  • protein folding