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

Docking Result

CHEMBL3945617_dpp4

Atoms: 414
Models: 9
Best Energy: -8.929 kcal/mol

Binding Energies:
  • Pose 1: -8.929 kcal/mol
  • Pose 2: -8.928 kcal/mol
  • Pose 3: -8.761 kcal/mol
  • Pose 4: -8.653 kcal/mol
  • Pose 5: -8.65 kcal/mol
  • Pose 6: -8.549 kcal/mol
  • Pose 7: -8.536 kcal/mol
  • Pose 8: -8.464 kcal/mol
  • Pose 9: -8.182 kcal/mol
CHEMBL3945617_dpp4
Energy Plot
RMSD Scatter Plot