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

Docking Result

CHEMBL3357763_dpp4

Atoms: 324
Models: 9
Best Energy: -9.363 kcal/mol

Binding Energies:
  • Pose 1: -9.363 kcal/mol
  • Pose 2: -9.307 kcal/mol
  • Pose 3: -8.878 kcal/mol
  • Pose 4: -8.756 kcal/mol
  • Pose 5: -8.67 kcal/mol
  • Pose 6: -8.649 kcal/mol
  • Pose 7: -8.646 kcal/mol
  • Pose 8: -8.518 kcal/mol
  • Pose 9: -8.442 kcal/mol
CHEMBL3357763_dpp4
Energy Plot
RMSD Scatter Plot