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

Docking Result

CHEMBL3236126_dpp4

Atoms: 279
Models: 9
Best Energy: -8.067 kcal/mol

Binding Energies:
  • Pose 1: -8.067 kcal/mol
  • Pose 2: -7.897 kcal/mol
  • Pose 3: -7.832 kcal/mol
  • Pose 4: -7.821 kcal/mol
  • Pose 5: -7.804 kcal/mol
  • Pose 6: -7.675 kcal/mol
  • Pose 7: -7.651 kcal/mol
  • Pose 8: -7.557 kcal/mol
  • Pose 9: -7.552 kcal/mol
CHEMBL3236126_dpp4
Energy Plot
RMSD Scatter Plot