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

Docking Result

CHEMBL346877_dpp4

Atoms: 126
Models: 9
Best Energy: -5.134 kcal/mol

Binding Energies:
  • Pose 1: -5.134 kcal/mol
  • Pose 2: -5.039 kcal/mol
  • Pose 3: -4.84 kcal/mol
  • Pose 4: -4.837 kcal/mol
  • Pose 5: -4.782 kcal/mol
  • Pose 6: -4.754 kcal/mol
  • Pose 7: -4.752 kcal/mol
  • Pose 8: -4.639 kcal/mol
  • Pose 9: -4.637 kcal/mol
CHEMBL346877_dpp4
Energy Plot
RMSD Scatter Plot