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

Docking Result

CHEMBL2425072_dpp4

Atoms: 234
Models: 9
Best Energy: -7.799 kcal/mol

Binding Energies:
  • Pose 1: -7.799 kcal/mol
  • Pose 2: -7.653 kcal/mol
  • Pose 3: -7.651 kcal/mol
  • Pose 4: -7.503 kcal/mol
  • Pose 5: -7.411 kcal/mol
  • Pose 6: -7.309 kcal/mol
  • Pose 7: -7.186 kcal/mol
  • Pose 8: -6.867 kcal/mol
  • Pose 9: -6.85 kcal/mol
CHEMBL2425072_dpp4
Energy Plot
RMSD Scatter Plot