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

Docking Result

CHEMBL5399740_dpp4

Atoms: 342
Models: 9
Best Energy: -10.138 kcal/mol

Binding Energies:
  • Pose 1: -10.138 kcal/mol
  • Pose 2: -10.034 kcal/mol
  • Pose 3: -9.731 kcal/mol
  • Pose 4: -9.574 kcal/mol
  • Pose 5: -9.472 kcal/mol
  • Pose 6: -9.41 kcal/mol
  • Pose 7: -9.294 kcal/mol
  • Pose 8: -9.15 kcal/mol
  • Pose 9: -8.841 kcal/mol
CHEMBL5399740_dpp4
Energy Plot
RMSD Scatter Plot