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

Docking Result

CHEMBL1951595_dpp4

Atoms: 369
Models: 9
Best Energy: -8.809 kcal/mol

Binding Energies:
  • Pose 1: -8.809 kcal/mol
  • Pose 2: -8.698 kcal/mol
  • Pose 3: -8.398 kcal/mol
  • Pose 4: -8.283 kcal/mol
  • Pose 5: -7.825 kcal/mol
  • Pose 6: -7.704 kcal/mol
  • Pose 7: -7.702 kcal/mol
  • Pose 8: -7.674 kcal/mol
  • Pose 9: -7.597 kcal/mol
CHEMBL1951595_dpp4
Energy Plot
RMSD Scatter Plot