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

Docking Result

CHEMBL77538_dpp4

Atoms: 216
Models: 9
Best Energy: -6.416 kcal/mol

Binding Energies:
  • Pose 1: -6.416 kcal/mol
  • Pose 2: -6.397 kcal/mol
  • Pose 3: -6.262 kcal/mol
  • Pose 4: -6.259 kcal/mol
  • Pose 5: -6.258 kcal/mol
  • Pose 6: -6.228 kcal/mol
  • Pose 7: -6.216 kcal/mol
  • Pose 8: -6.127 kcal/mol
  • Pose 9: -6.12 kcal/mol
CHEMBL77538_dpp4
Energy Plot
RMSD Scatter Plot