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

Docking Result

CHEMBL5411710_dpp4

Atoms: 225
Models: 9
Best Energy: -7.593 kcal/mol

Binding Energies:
  • Pose 1: -7.593 kcal/mol
  • Pose 2: -7.333 kcal/mol
  • Pose 3: -7.103 kcal/mol
  • Pose 4: -6.965 kcal/mol
  • Pose 5: -6.909 kcal/mol
  • Pose 6: -6.903 kcal/mol
  • Pose 7: -6.897 kcal/mol
  • Pose 8: -6.778 kcal/mol
  • Pose 9: -6.764 kcal/mol
CHEMBL5411710_dpp4
Energy Plot
RMSD Scatter Plot