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

Docking Result

CHEMBL2147771_dpp4

Atoms: 279
Models: 9
Best Energy: -8.106 kcal/mol

Binding Energies:
  • Pose 1: -8.106 kcal/mol
  • Pose 2: -7.951 kcal/mol
  • Pose 3: -7.95 kcal/mol
  • Pose 4: -7.843 kcal/mol
  • Pose 5: -7.731 kcal/mol
  • Pose 6: -7.609 kcal/mol
  • Pose 7: -7.517 kcal/mol
  • Pose 8: -7.318 kcal/mol
  • Pose 9: -7.205 kcal/mol
CHEMBL2147771_dpp4
Energy Plot
RMSD Scatter Plot