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

Docking Result

CHEMBL3616914_dpp4

Atoms: 198
Models: 9
Best Energy: -7.099 kcal/mol

Binding Energies:
  • Pose 1: -7.099 kcal/mol
  • Pose 2: -6.612 kcal/mol
  • Pose 3: -6.517 kcal/mol
  • Pose 4: -6.511 kcal/mol
  • Pose 5: -6.419 kcal/mol
  • Pose 6: -6.22 kcal/mol
  • Pose 7: -6.166 kcal/mol
  • Pose 8: -6.071 kcal/mol
  • Pose 9: -6.014 kcal/mol
CHEMBL3616914_dpp4
Energy Plot
RMSD Scatter Plot