DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL234238_dpp4

Atoms: 261
Models: 9
Best Energy: -8.032 kcal/mol

Binding Energies:
  • Pose 1: -8.032 kcal/mol
  • Pose 2: -7.574 kcal/mol
  • Pose 3: -7.147 kcal/mol
  • Pose 4: -7.14 kcal/mol
  • Pose 5: -7.117 kcal/mol
  • Pose 6: -7.059 kcal/mol
  • Pose 7: -6.956 kcal/mol
  • Pose 8: -6.916 kcal/mol
  • Pose 9: -6.831 kcal/mol
CHEMBL234238_dpp4
Energy Plot
RMSD Scatter Plot