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

Docking Result

CHEMBL177180_dpp4

Atoms: 144
Models: 9
Best Energy: -6.574 kcal/mol

Binding Energies:
  • Pose 1: -6.574 kcal/mol
  • Pose 2: -6.304 kcal/mol
  • Pose 3: -6.262 kcal/mol
  • Pose 4: -6.203 kcal/mol
  • Pose 5: -6.135 kcal/mol
  • Pose 6: -6.118 kcal/mol
  • Pose 7: -6.066 kcal/mol
  • Pose 8: -6.016 kcal/mol
  • Pose 9: -5.979 kcal/mol
CHEMBL177180_dpp4
Energy Plot
RMSD Scatter Plot