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

Docking Result

CHEMBL3644792_dpp4

Atoms: 342
Models: 9
Best Energy: -8.677 kcal/mol

Binding Energies:
  • Pose 1: -8.677 kcal/mol
  • Pose 2: -8.344 kcal/mol
  • Pose 3: -8.279 kcal/mol
  • Pose 4: -8.271 kcal/mol
  • Pose 5: -8.186 kcal/mol
  • Pose 6: -8.1 kcal/mol
  • Pose 7: -8.065 kcal/mol
  • Pose 8: -8.033 kcal/mol
  • Pose 9: -8.003 kcal/mol
CHEMBL3644792_dpp4
Energy Plot
RMSD Scatter Plot