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

Docking Result

CHEMBL566829_dpp4

Atoms: 315
Models: 9
Best Energy: -8.842 kcal/mol

Binding Energies:
  • Pose 1: -8.842 kcal/mol
  • Pose 2: -8.785 kcal/mol
  • Pose 3: -8.544 kcal/mol
  • Pose 4: -8.348 kcal/mol
  • Pose 5: -8.23 kcal/mol
  • Pose 6: -8.194 kcal/mol
  • Pose 7: -8.144 kcal/mol
  • Pose 8: -8.142 kcal/mol
  • Pose 9: -8.021 kcal/mol
CHEMBL566829_dpp4
Energy Plot
RMSD Scatter Plot