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

Docking Result

CHEMBL1242966_dpp4

Atoms: 288
Models: 9
Best Energy: -9.232 kcal/mol

Binding Energies:
  • Pose 1: -9.232 kcal/mol
  • Pose 2: -9.01 kcal/mol
  • Pose 3: -8.72 kcal/mol
  • Pose 4: -8.681 kcal/mol
  • Pose 5: -8.679 kcal/mol
  • Pose 6: -8.606 kcal/mol
  • Pose 7: -8.54 kcal/mol
  • Pose 8: -8.468 kcal/mol
  • Pose 9: -8.432 kcal/mol
CHEMBL1242966_dpp4
Energy Plot
RMSD Scatter Plot