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

Docking Result

CHEMBL3675625_dpp4

Atoms: 378
Models: 9
Best Energy: -9.788 kcal/mol

Binding Energies:
  • Pose 1: -9.788 kcal/mol
  • Pose 2: -9.691 kcal/mol
  • Pose 3: -9.275 kcal/mol
  • Pose 4: -9.273 kcal/mol
  • Pose 5: -9.272 kcal/mol
  • Pose 6: -9.208 kcal/mol
  • Pose 7: -9.043 kcal/mol
  • Pose 8: -9.017 kcal/mol
  • Pose 9: -8.912 kcal/mol
CHEMBL3675625_dpp4
Energy Plot
RMSD Scatter Plot