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

Docking Result

CHEMBL319514_dpp4

Atoms: 126
Models: 9
Best Energy: -5.49 kcal/mol

Binding Energies:
  • Pose 1: -5.49 kcal/mol
  • Pose 2: -5.123 kcal/mol
  • Pose 3: -5.092 kcal/mol
  • Pose 4: -5.078 kcal/mol
  • Pose 5: -5.026 kcal/mol
  • Pose 6: -4.922 kcal/mol
  • Pose 7: -4.921 kcal/mol
  • Pose 8: -4.769 kcal/mol
  • Pose 9: -4.719 kcal/mol
CHEMBL319514_dpp4
Energy Plot
RMSD Scatter Plot