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

Docking Result

CHEMBL6057192_dpp4

Atoms: 297
Models: 9
Best Energy: -9.67 kcal/mol

Binding Energies:
  • Pose 1: -9.67 kcal/mol
  • Pose 2: -9.417 kcal/mol
  • Pose 3: -9.107 kcal/mol
  • Pose 4: -8.908 kcal/mol
  • Pose 5: -8.802 kcal/mol
  • Pose 6: -8.775 kcal/mol
  • Pose 7: -8.714 kcal/mol
  • Pose 8: -8.7 kcal/mol
  • Pose 9: -8.579 kcal/mol
CHEMBL6057192_dpp4
Energy Plot
RMSD Scatter Plot