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

Docking Result

CHEMBL469740_dpp4

Atoms: 315
Models: 9
Best Energy: -8.89 kcal/mol

Binding Energies:
  • Pose 1: -8.89 kcal/mol
  • Pose 2: -8.593 kcal/mol
  • Pose 3: -8.566 kcal/mol
  • Pose 4: -8.508 kcal/mol
  • Pose 5: -8.491 kcal/mol
  • Pose 6: -8.352 kcal/mol
  • Pose 7: -8.316 kcal/mol
  • Pose 8: -8.272 kcal/mol
  • Pose 9: -8.221 kcal/mol
CHEMBL469740_dpp4
Energy Plot
RMSD Scatter Plot