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

Docking Result

CHEMBL404220_dpp4

Atoms: 324
Models: 9
Best Energy: -9.779 kcal/mol

Binding Energies:
  • Pose 1: -9.779 kcal/mol
  • Pose 2: -8.835 kcal/mol
  • Pose 3: -8.67 kcal/mol
  • Pose 4: -8.566 kcal/mol
  • Pose 5: -8.342 kcal/mol
  • Pose 6: -8.336 kcal/mol
  • Pose 7: -8.287 kcal/mol
  • Pose 8: -8.265 kcal/mol
  • Pose 9: -8.17 kcal/mol
CHEMBL404220_dpp4
Energy Plot
RMSD Scatter Plot