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

Docking Result

CHEMBL90170_dpp4

Atoms: 162
Models: 9
Best Energy: -6.518 kcal/mol

Binding Energies:
  • Pose 1: -6.518 kcal/mol
  • Pose 2: -6.021 kcal/mol
  • Pose 3: -5.964 kcal/mol
  • Pose 4: -5.954 kcal/mol
  • Pose 5: -5.881 kcal/mol
  • Pose 6: -5.852 kcal/mol
  • Pose 7: -5.829 kcal/mol
  • Pose 8: -5.793 kcal/mol
  • Pose 9: -5.733 kcal/mol
CHEMBL90170_dpp4
Energy Plot
RMSD Scatter Plot