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

Docking Result

CHEMBL4161924_dpp4

Atoms: 360
Models: 9
Best Energy: -9.412 kcal/mol

Binding Energies:
  • Pose 1: -9.412 kcal/mol
  • Pose 2: -8.816 kcal/mol
  • Pose 3: -8.271 kcal/mol
  • Pose 4: -8.241 kcal/mol
  • Pose 5: -8.11 kcal/mol
  • Pose 6: -8.046 kcal/mol
  • Pose 7: -8.036 kcal/mol
  • Pose 8: -7.976 kcal/mol
  • Pose 9: -7.971 kcal/mol
CHEMBL4161924_dpp4
Energy Plot
RMSD Scatter Plot