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

Docking Result

CHEMBL2425887_dpp4

Atoms: 324
Models: 9
Best Energy: -9.038 kcal/mol

Binding Energies:
  • Pose 1: -9.038 kcal/mol
  • Pose 2: -8.68 kcal/mol
  • Pose 3: -8.589 kcal/mol
  • Pose 4: -8.549 kcal/mol
  • Pose 5: -8.421 kcal/mol
  • Pose 6: -8.328 kcal/mol
  • Pose 7: -8.198 kcal/mol
  • Pose 8: -8.195 kcal/mol
  • Pose 9: -7.879 kcal/mol
CHEMBL2425887_dpp4
Energy Plot
RMSD Scatter Plot