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

Docking Result

CHEMBL2178960_dpp4

Atoms: 342
Models: 9
Best Energy: -8.565 kcal/mol

Binding Energies:
  • Pose 1: -8.565 kcal/mol
  • Pose 2: -8.556 kcal/mol
  • Pose 3: -8.49 kcal/mol
  • Pose 4: -8.214 kcal/mol
  • Pose 5: -8.121 kcal/mol
  • Pose 6: -8.078 kcal/mol
  • Pose 7: -8.054 kcal/mol
  • Pose 8: -8.022 kcal/mol
  • Pose 9: -7.987 kcal/mol
CHEMBL2178960_dpp4
Energy Plot
RMSD Scatter Plot