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Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics.

Jaroslav KocaChang-Guo ZhanRobert C. RittenhouseRick L. Ornstein
Published in: J. Comput. Chem. (2003)
Keyphrases
  • quantum mechanics
  • molecular dynamics
  • cooperative
  • multi agent
  • metadata
  • data collection