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

Docking Result

CHEMBL3736067_dpp4

Atoms: 342
Models: 9
Best Energy: -9.866 kcal/mol

Binding Energies:
  • Pose 1: -9.866 kcal/mol
  • Pose 2: -9.569 kcal/mol
  • Pose 3: -9.556 kcal/mol
  • Pose 4: -9.366 kcal/mol
  • Pose 5: -9.324 kcal/mol
  • Pose 6: -9.291 kcal/mol
  • Pose 7: -9.216 kcal/mol
  • Pose 8: -9.203 kcal/mol
  • Pose 9: -9.184 kcal/mol
CHEMBL3736067_dpp4
Energy Plot
RMSD Scatter Plot