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

Docking Result

CHEMBL2385292_dpp4

Atoms: 180
Models: 9
Best Energy: -7.734 kcal/mol

Binding Energies:
  • Pose 1: -7.734 kcal/mol
  • Pose 2: -7.646 kcal/mol
  • Pose 3: -7.631 kcal/mol
  • Pose 4: -7.133 kcal/mol
  • Pose 5: -7.052 kcal/mol
  • Pose 6: -7.033 kcal/mol
  • Pose 7: -6.868 kcal/mol
  • Pose 8: -6.841 kcal/mol
  • Pose 9: -6.753 kcal/mol
CHEMBL2385292_dpp4
Energy Plot
RMSD Scatter Plot