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

Docking Result

CHEMBL3959221_dpp4

Atoms: 288
Models: 9
Best Energy: -9.196 kcal/mol

Binding Energies:
  • Pose 1: -9.196 kcal/mol
  • Pose 2: -9.191 kcal/mol
  • Pose 3: -9.088 kcal/mol
  • Pose 4: -9.059 kcal/mol
  • Pose 5: -8.437 kcal/mol
  • Pose 6: -8.397 kcal/mol
  • Pose 7: -8.185 kcal/mol
  • Pose 8: -8.175 kcal/mol
  • Pose 9: -8.095 kcal/mol
CHEMBL3959221_dpp4
Energy Plot
RMSD Scatter Plot