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

Docking Result

CHEMBL3644801_dpp4

Atoms: 324
Models: 9
Best Energy: -8.845 kcal/mol

Binding Energies:
  • Pose 1: -8.845 kcal/mol
  • Pose 2: -8.692 kcal/mol
  • Pose 3: -8.585 kcal/mol
  • Pose 4: -8.562 kcal/mol
  • Pose 5: -8.395 kcal/mol
  • Pose 6: -8.167 kcal/mol
  • Pose 7: -8.161 kcal/mol
  • Pose 8: -8.15 kcal/mol
  • Pose 9: -8.094 kcal/mol
CHEMBL3644801_dpp4
Energy Plot
RMSD Scatter Plot