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

Docking Result

CHEMBL1650447_dpp4

Atoms: 270
Models: 9
Best Energy: -6.414 kcal/mol

Binding Energies:
  • Pose 1: -6.414 kcal/mol
  • Pose 2: -6.157 kcal/mol
  • Pose 3: -5.681 kcal/mol
  • Pose 4: -5.571 kcal/mol
  • Pose 5: -5.562 kcal/mol
  • Pose 6: -5.557 kcal/mol
  • Pose 7: -5.54 kcal/mol
  • Pose 8: -5.539 kcal/mol
  • Pose 9: -5.416 kcal/mol
CHEMBL1650447_dpp4
Energy Plot
RMSD Scatter Plot