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

Docking Result

CHEMBL501126_dpp4

Atoms: 162
Models: 9
Best Energy: -5.256 kcal/mol

Binding Energies:
  • Pose 1: -5.256 kcal/mol
  • Pose 2: -5.256 kcal/mol
  • Pose 3: -5.141 kcal/mol
  • Pose 4: -5.112 kcal/mol
  • Pose 5: -5.048 kcal/mol
  • Pose 6: -5.04 kcal/mol
  • Pose 7: -4.935 kcal/mol
  • Pose 8: -4.842 kcal/mol
  • Pose 9: -4.784 kcal/mol
CHEMBL501126_dpp4
Energy Plot
RMSD Scatter Plot