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

Docking Result

CHEMBL3616895_dpp4

Atoms: 324
Models: 9
Best Energy: -8.796 kcal/mol

Binding Energies:
  • Pose 1: -8.796 kcal/mol
  • Pose 2: -8.621 kcal/mol
  • Pose 3: -8.404 kcal/mol
  • Pose 4: -8.368 kcal/mol
  • Pose 5: -8.219 kcal/mol
  • Pose 6: -8.19 kcal/mol
  • Pose 7: -8.17 kcal/mol
  • Pose 8: -8.043 kcal/mol
  • Pose 9: -8.019 kcal/mol
CHEMBL3616895_dpp4
Energy Plot
RMSD Scatter Plot