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

Docking Result

CHEMBL3654419_dpp4

Atoms: 306
Models: 9
Best Energy: -6.706 kcal/mol

Binding Energies:
  • Pose 1: -6.706 kcal/mol
  • Pose 2: -6.287 kcal/mol
  • Pose 3: -5.929 kcal/mol
  • Pose 4: -5.895 kcal/mol
  • Pose 5: -5.789 kcal/mol
  • Pose 6: -5.741 kcal/mol
  • Pose 7: -5.73 kcal/mol
  • Pose 8: -5.727 kcal/mol
  • Pose 9: -5.651 kcal/mol
CHEMBL3654419_dpp4
Energy Plot
RMSD Scatter Plot