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

Docking Result

CHEMBL2069841_dpp4

Atoms: 324
Models: 9
Best Energy: -8.565 kcal/mol

Binding Energies:
  • Pose 1: -8.565 kcal/mol
  • Pose 2: -8.557 kcal/mol
  • Pose 3: -8.495 kcal/mol
  • Pose 4: -8.34 kcal/mol
  • Pose 5: -8.271 kcal/mol
  • Pose 6: -8.198 kcal/mol
  • Pose 7: -8.142 kcal/mol
  • Pose 8: -8.036 kcal/mol
  • Pose 9: -8.005 kcal/mol
CHEMBL2069841_dpp4
Energy Plot
RMSD Scatter Plot