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

Docking Result

CHEMBL2425886_dpp4

Atoms: 288
Models: 9
Best Energy: -8.358 kcal/mol

Binding Energies:
  • Pose 1: -8.358 kcal/mol
  • Pose 2: -8.104 kcal/mol
  • Pose 3: -7.946 kcal/mol
  • Pose 4: -7.646 kcal/mol
  • Pose 5: -7.457 kcal/mol
  • Pose 6: -7.334 kcal/mol
  • Pose 7: -7.267 kcal/mol
  • Pose 8: -7.249 kcal/mol
  • Pose 9: -7.182 kcal/mol
CHEMBL2425886_dpp4
Energy Plot
RMSD Scatter Plot