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

Docking Result

CHEMBL2086598_dpp4

Atoms: 234
Models: 9
Best Energy: -7.02 kcal/mol

Binding Energies:
  • Pose 1: -7.02 kcal/mol
  • Pose 2: -6.98 kcal/mol
  • Pose 3: -6.895 kcal/mol
  • Pose 4: -6.766 kcal/mol
  • Pose 5: -6.699 kcal/mol
  • Pose 6: -6.679 kcal/mol
  • Pose 7: -6.651 kcal/mol
  • Pose 8: -6.622 kcal/mol
  • Pose 9: -6.58 kcal/mol
CHEMBL2086598_dpp4
Energy Plot
RMSD Scatter Plot