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

Docking Result

CHEMBL4743516_dpp4

Atoms: 243
Models: 9
Best Energy: -8.059 kcal/mol

Binding Energies:
  • Pose 1: -8.059 kcal/mol
  • Pose 2: -8.049 kcal/mol
  • Pose 3: -8.02 kcal/mol
  • Pose 4: -7.95 kcal/mol
  • Pose 5: -7.793 kcal/mol
  • Pose 6: -7.704 kcal/mol
  • Pose 7: -7.611 kcal/mol
  • Pose 8: -7.588 kcal/mol
  • Pose 9: -7.321 kcal/mol
CHEMBL4743516_dpp4
Energy Plot
RMSD Scatter Plot