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

Docking Result

CHEMBL153236_dpp4

Atoms: 198
Models: 9
Best Energy: -7.525 kcal/mol

Binding Energies:
  • Pose 1: -7.525 kcal/mol
  • Pose 2: -7.434 kcal/mol
  • Pose 3: -7.085 kcal/mol
  • Pose 4: -7.06 kcal/mol
  • Pose 5: -6.894 kcal/mol
  • Pose 6: -6.862 kcal/mol
  • Pose 7: -6.811 kcal/mol
  • Pose 8: -6.687 kcal/mol
  • Pose 9: -6.587 kcal/mol
CHEMBL153236_dpp4
Energy Plot
RMSD Scatter Plot