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

Docking Result

CHEMBL95089_dpp4

Atoms: 153
Models: 9
Best Energy: -6.06 kcal/mol

Binding Energies:
  • Pose 1: -6.06 kcal/mol
  • Pose 2: -6.03 kcal/mol
  • Pose 3: -5.969 kcal/mol
  • Pose 4: -5.835 kcal/mol
  • Pose 5: -5.814 kcal/mol
  • Pose 6: -5.811 kcal/mol
  • Pose 7: -5.775 kcal/mol
  • Pose 8: -5.771 kcal/mol
  • Pose 9: -5.766 kcal/mol
CHEMBL95089_dpp4
Energy Plot
RMSD Scatter Plot