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

Docking Result

CHEMBL1082708_dpp4

Atoms: 252
Models: 9
Best Energy: -8.113 kcal/mol

Binding Energies:
  • Pose 1: -8.113 kcal/mol
  • Pose 2: -8.035 kcal/mol
  • Pose 3: -7.896 kcal/mol
  • Pose 4: -7.773 kcal/mol
  • Pose 5: -7.658 kcal/mol
  • Pose 6: -7.632 kcal/mol
  • Pose 7: -7.628 kcal/mol
  • Pose 8: -7.579 kcal/mol
  • Pose 9: -7.351 kcal/mol
CHEMBL1082708_dpp4
Energy Plot
RMSD Scatter Plot