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

Docking Result

CHEMBL2178979_dpp4

Atoms: 243
Models: 9
Best Energy: -7.931 kcal/mol

Binding Energies:
  • Pose 1: -7.931 kcal/mol
  • Pose 2: -7.802 kcal/mol
  • Pose 3: -7.769 kcal/mol
  • Pose 4: -7.669 kcal/mol
  • Pose 5: -7.654 kcal/mol
  • Pose 6: -7.632 kcal/mol
  • Pose 7: -7.621 kcal/mol
  • Pose 8: -7.554 kcal/mol
  • Pose 9: -7.425 kcal/mol
CHEMBL2178979_dpp4
Energy Plot
RMSD Scatter Plot