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

Docking Result

CHEMBL328994_dpp4

Atoms: 189
Models: 9
Best Energy: -7.804 kcal/mol

Binding Energies:
  • Pose 1: -7.804 kcal/mol
  • Pose 2: -7.624 kcal/mol
  • Pose 3: -7.478 kcal/mol
  • Pose 4: -7.321 kcal/mol
  • Pose 5: -7.248 kcal/mol
  • Pose 6: -7.174 kcal/mol
  • Pose 7: -7.138 kcal/mol
  • Pose 8: -7.104 kcal/mol
  • Pose 9: -6.898 kcal/mol
CHEMBL328994_dpp4
Energy Plot
RMSD Scatter Plot