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

Docking Result

CHEMBL5408720_dpp4

Atoms: 396
Models: 9
Best Energy: -8.873 kcal/mol

Binding Energies:
  • Pose 1: -8.873 kcal/mol
  • Pose 2: -8.87 kcal/mol
  • Pose 3: -8.789 kcal/mol
  • Pose 4: -8.58 kcal/mol
  • Pose 5: -8.4 kcal/mol
  • Pose 6: -8.325 kcal/mol
  • Pose 7: -8.3 kcal/mol
  • Pose 8: -8.259 kcal/mol
  • Pose 9: -8.176 kcal/mol
CHEMBL5408720_dpp4
Energy Plot
RMSD Scatter Plot