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Binding Region of Alanopine Dehydrogenase Predicted by Unbiased Molecular Dynamics Simulations of Ligand Diffusion.

Holger GohlkeUlrike HergertTatu MeyerDaniel MulnaesManfred K. GrieshaberSander H. J. SmitsLutz Schmitt
Published in: J. Chem. Inf. Model. (2013)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • anisotropic diffusion
  • diffusion process
  • data mining
  • image sequences
  • data streams
  • numerical simulations