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

Docking Result

CHEMBL3236125_dpp4

Atoms: 297
Models: 9
Best Energy: -9.92 kcal/mol

Binding Energies:
  • Pose 1: -9.92 kcal/mol
  • Pose 2: -9.086 kcal/mol
  • Pose 3: -8.974 kcal/mol
  • Pose 4: -8.417 kcal/mol
  • Pose 5: -7.998 kcal/mol
  • Pose 6: -7.861 kcal/mol
  • Pose 7: -7.836 kcal/mol
  • Pose 8: -7.794 kcal/mol
  • Pose 9: -7.726 kcal/mol
CHEMBL3236125_dpp4
Energy Plot
RMSD Scatter Plot