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

Docking Result

CHEMBL4550812_dpp4

Atoms: 270
Models: 9
Best Energy: -8.883 kcal/mol

Binding Energies:
  • Pose 1: -8.883 kcal/mol
  • Pose 2: -8.106 kcal/mol
  • Pose 3: -7.978 kcal/mol
  • Pose 4: -7.844 kcal/mol
  • Pose 5: -7.717 kcal/mol
  • Pose 6: -7.706 kcal/mol
  • Pose 7: -7.621 kcal/mol
  • Pose 8: -7.422 kcal/mol
  • Pose 9: -7.27 kcal/mol
CHEMBL4550812_dpp4
Energy Plot
RMSD Scatter Plot