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

Docking Result

CHEMBL237567_dpp4

Atoms: 315
Models: 9
Best Energy: -8.114 kcal/mol

Binding Energies:
  • Pose 1: -8.114 kcal/mol
  • Pose 2: -7.977 kcal/mol
  • Pose 3: -7.704 kcal/mol
  • Pose 4: -7.686 kcal/mol
  • Pose 5: -7.685 kcal/mol
  • Pose 6: -7.611 kcal/mol
  • Pose 7: -7.528 kcal/mol
  • Pose 8: -7.38 kcal/mol
  • Pose 9: -7.335 kcal/mol
CHEMBL237567_dpp4
Energy Plot
RMSD Scatter Plot