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

Docking Result

CHEMBL5439059_dpp4

Atoms: 324
Models: 9
Best Energy: -8.411 kcal/mol

Binding Energies:
  • Pose 1: -8.411 kcal/mol
  • Pose 2: -7.699 kcal/mol
  • Pose 3: -7.33 kcal/mol
  • Pose 4: -7.257 kcal/mol
  • Pose 5: -7.138 kcal/mol
  • Pose 6: -7.015 kcal/mol
  • Pose 7: -6.934 kcal/mol
  • Pose 8: -6.844 kcal/mol
  • Pose 9: -6.818 kcal/mol
CHEMBL5439059_dpp4
Energy Plot
RMSD Scatter Plot