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

Docking Result

CHEMBL3897624_dpp4

Atoms: 360
Models: 9
Best Energy: -10.133 kcal/mol

Binding Energies:
  • Pose 1: -10.133 kcal/mol
  • Pose 2: -9.614 kcal/mol
  • Pose 3: -9.442 kcal/mol
  • Pose 4: -9.273 kcal/mol
  • Pose 5: -8.656 kcal/mol
  • Pose 6: -8.646 kcal/mol
  • Pose 7: -8.587 kcal/mol
  • Pose 8: -8.53 kcal/mol
  • Pose 9: -8.385 kcal/mol
CHEMBL3897624_dpp4
Energy Plot
RMSD Scatter Plot