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

Docking Result

CHEMBL148285_dpp4

Atoms: 126
Models: 9
Best Energy: -5.185 kcal/mol

Binding Energies:
  • Pose 1: -5.185 kcal/mol
  • Pose 2: -5.131 kcal/mol
  • Pose 3: -5.129 kcal/mol
  • Pose 4: -5.098 kcal/mol
  • Pose 5: -5.034 kcal/mol
  • Pose 6: -5.021 kcal/mol
  • Pose 7: -4.98 kcal/mol
  • Pose 8: -4.93 kcal/mol
  • Pose 9: -4.899 kcal/mol
CHEMBL148285_dpp4
Energy Plot
RMSD Scatter Plot