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Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin - an insight from molecular dynamics simulations with classical and ab initio force fields.

Jaroslaw J. PanekThomas R. WardAneta Jezierska-MazzarelloMarjana Novic
Published in: J. Comput. Aided Mol. Des. (2010)
Keyphrases
  • high performance computing
  • molecular dynamics
  • molecular dynamics simulations
  • computer vision
  • databases
  • load balancing
  • distributed environment