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

Docking Result

CHEMBL250147_dpp4

Atoms: 324
Models: 9
Best Energy: -8.593 kcal/mol

Binding Energies:
  • Pose 1: -8.593 kcal/mol
  • Pose 2: -8.244 kcal/mol
  • Pose 3: -8.191 kcal/mol
  • Pose 4: -8.089 kcal/mol
  • Pose 5: -8.048 kcal/mol
  • Pose 6: -7.937 kcal/mol
  • Pose 7: -7.935 kcal/mol
  • Pose 8: -7.934 kcal/mol
  • Pose 9: -7.849 kcal/mol
CHEMBL250147_dpp4
Energy Plot
RMSD Scatter Plot