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Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study.

Vannajan Sanghiran LeeKanchanok KodchakornJitrayut JitonnomPiyarat NimmanpipugPrachya KongtawelertBhusana Premanode
Published in: J. Comput. Aided Mol. Des. (2010)
Keyphrases
  • molecular dynamics
  • information systems
  • data streams
  • mathematical model
  • numerical simulations
  • data center
  • molecular dynamics simulations