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

Docking Result

CHEMBL1650418_dpp4

Atoms: 270
Models: 9
Best Energy: -8.247 kcal/mol

Binding Energies:
  • Pose 1: -8.247 kcal/mol
  • Pose 2: -8.058 kcal/mol
  • Pose 3: -7.622 kcal/mol
  • Pose 4: -7.443 kcal/mol
  • Pose 5: -7.351 kcal/mol
  • Pose 6: -7.347 kcal/mol
  • Pose 7: -7.196 kcal/mol
  • Pose 8: -6.922 kcal/mol
  • Pose 9: -6.838 kcal/mol
CHEMBL1650418_dpp4
Energy Plot
RMSD Scatter Plot