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

Docking Result

CHEMBL1808464_dpp4

Atoms: 288
Models: 9
Best Energy: -8.797 kcal/mol

Binding Energies:
  • Pose 1: -8.797 kcal/mol
  • Pose 2: -7.907 kcal/mol
  • Pose 3: -7.701 kcal/mol
  • Pose 4: -7.661 kcal/mol
  • Pose 5: -7.485 kcal/mol
  • Pose 6: -7.478 kcal/mol
  • Pose 7: -7.454 kcal/mol
  • Pose 8: -7.395 kcal/mol
  • Pose 9: -6.943 kcal/mol
CHEMBL1808464_dpp4
Energy Plot
RMSD Scatter Plot