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Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.

Jan KmunícekMichal BohácSantos LuengoFederico GagoRebecca C. WadeJirí Damborský
Published in: J. Comput. Aided Mol. Des. (2003)
Keyphrases
  • neural network
  • statistical analysis
  • data analysis
  • image analysis
  • quantum mechanics