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

Docking Result

CHEMBL2385280_dpp4

Atoms: 216
Models: 9
Best Energy: -7.905 kcal/mol

Binding Energies:
  • Pose 1: -7.905 kcal/mol
  • Pose 2: -7.84 kcal/mol
  • Pose 3: -7.754 kcal/mol
  • Pose 4: -7.693 kcal/mol
  • Pose 5: -7.686 kcal/mol
  • Pose 6: -7.678 kcal/mol
  • Pose 7: -7.536 kcal/mol
  • Pose 8: -7.486 kcal/mol
  • Pose 9: -7.465 kcal/mol
CHEMBL2385280_dpp4
Energy Plot
RMSD Scatter Plot