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

Docking Result

CHEMBL234043_dpp4

Atoms: 243
Models: 9
Best Energy: -8.038 kcal/mol

Binding Energies:
  • Pose 1: -8.038 kcal/mol
  • Pose 2: -7.887 kcal/mol
  • Pose 3: -7.85 kcal/mol
  • Pose 4: -7.523 kcal/mol
  • Pose 5: -7.506 kcal/mol
  • Pose 6: -7.5 kcal/mol
  • Pose 7: -7.394 kcal/mol
  • Pose 8: -7.34 kcal/mol
  • Pose 9: -7.23 kcal/mol
CHEMBL234043_dpp4
Energy Plot
RMSD Scatter Plot