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

Docking Result

CHEMBL399525_dpp4

Atoms: 261
Models: 9
Best Energy: -7.988 kcal/mol

Binding Energies:
  • Pose 1: -7.988 kcal/mol
  • Pose 2: -7.917 kcal/mol
  • Pose 3: -7.734 kcal/mol
  • Pose 4: -7.502 kcal/mol
  • Pose 5: -7.351 kcal/mol
  • Pose 6: -7.205 kcal/mol
  • Pose 7: -7.045 kcal/mol
  • Pose 8: -6.993 kcal/mol
  • Pose 9: -6.673 kcal/mol
CHEMBL399525_dpp4
Energy Plot
RMSD Scatter Plot