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

Docking Result

CHEMBL2086595_dpp4

Atoms: 225
Models: 9
Best Energy: -7.149 kcal/mol

Binding Energies:
  • Pose 1: -7.149 kcal/mol
  • Pose 2: -7.105 kcal/mol
  • Pose 3: -7.07 kcal/mol
  • Pose 4: -7.053 kcal/mol
  • Pose 5: -6.959 kcal/mol
  • Pose 6: -6.913 kcal/mol
  • Pose 7: -6.749 kcal/mol
  • Pose 8: -6.706 kcal/mol
  • Pose 9: -6.624 kcal/mol
CHEMBL2086595_dpp4
Energy Plot
RMSD Scatter Plot