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

Docking Result

CHEMBL549842_dpp4

Atoms: 297
Models: 9
Best Energy: -7.854 kcal/mol

Binding Energies:
  • Pose 1: -7.854 kcal/mol
  • Pose 2: -7.821 kcal/mol
  • Pose 3: -7.731 kcal/mol
  • Pose 4: -7.674 kcal/mol
  • Pose 5: -7.6 kcal/mol
  • Pose 6: -7.562 kcal/mol
  • Pose 7: -7.558 kcal/mol
  • Pose 8: -7.437 kcal/mol
  • Pose 9: -7.351 kcal/mol
CHEMBL549842_dpp4
Energy Plot
RMSD Scatter Plot