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

Docking Result

CHEMBL1688516_dpp4

Atoms: 207
Models: 9
Best Energy: -6.778 kcal/mol

Binding Energies:
  • Pose 1: -6.778 kcal/mol
  • Pose 2: -6.645 kcal/mol
  • Pose 3: -6.573 kcal/mol
  • Pose 4: -6.318 kcal/mol
  • Pose 5: -6.289 kcal/mol
  • Pose 6: -6.198 kcal/mol
  • Pose 7: -6.069 kcal/mol
  • Pose 8: -5.935 kcal/mol
  • Pose 9: -5.889 kcal/mol
CHEMBL1688516_dpp4
Energy Plot
RMSD Scatter Plot