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

Docking Result

CHEMBL89081_dpp4

Atoms: 207
Models: 9
Best Energy: -7.627 kcal/mol

Binding Energies:
  • Pose 1: -7.627 kcal/mol
  • Pose 2: -7.168 kcal/mol
  • Pose 3: -7.164 kcal/mol
  • Pose 4: -7.101 kcal/mol
  • Pose 5: -6.879 kcal/mol
  • Pose 6: -6.858 kcal/mol
  • Pose 7: -6.837 kcal/mol
  • Pose 8: -6.731 kcal/mol
  • Pose 9: -6.543 kcal/mol
CHEMBL89081_dpp4
Energy Plot
RMSD Scatter Plot