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

Docking Result

CHEMBL381111_dpp4

Atoms: 180
Models: 9
Best Energy: -7.229 kcal/mol

Binding Energies:
  • Pose 1: -7.229 kcal/mol
  • Pose 2: -7.099 kcal/mol
  • Pose 3: -6.95 kcal/mol
  • Pose 4: -6.794 kcal/mol
  • Pose 5: -6.736 kcal/mol
  • Pose 6: -6.722 kcal/mol
  • Pose 7: -6.706 kcal/mol
  • Pose 8: -6.569 kcal/mol
  • Pose 9: -6.487 kcal/mol
CHEMBL381111_dpp4
Energy Plot
RMSD Scatter Plot