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

Docking Result

CHEMBL391332_dpp4

Atoms: 180
Models: 9
Best Energy: -6.132 kcal/mol

Binding Energies:
  • Pose 1: -6.132 kcal/mol
  • Pose 2: -5.911 kcal/mol
  • Pose 3: -5.889 kcal/mol
  • Pose 4: -5.806 kcal/mol
  • Pose 5: -5.803 kcal/mol
  • Pose 6: -5.72 kcal/mol
  • Pose 7: -5.647 kcal/mol
  • Pose 8: -5.615 kcal/mol
  • Pose 9: -5.503 kcal/mol
CHEMBL391332_dpp4
Energy Plot
RMSD Scatter Plot