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

Docking Result

CHEMBL3644795_dpp4

Atoms: 324
Models: 9
Best Energy: -9.156 kcal/mol

Binding Energies:
  • Pose 1: -9.156 kcal/mol
  • Pose 2: -9.121 kcal/mol
  • Pose 3: -8.565 kcal/mol
  • Pose 4: -8.469 kcal/mol
  • Pose 5: -8.362 kcal/mol
  • Pose 6: -8.356 kcal/mol
  • Pose 7: -8.342 kcal/mol
  • Pose 8: -8.319 kcal/mol
  • Pose 9: -8.178 kcal/mol
CHEMBL3644795_dpp4
Energy Plot
RMSD Scatter Plot