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

Docking Result

CHEMBL175988_dpp4

Atoms: 153
Models: 9
Best Energy: -5.383 kcal/mol

Binding Energies:
  • Pose 1: -5.383 kcal/mol
  • Pose 2: -5.314 kcal/mol
  • Pose 3: -5.289 kcal/mol
  • Pose 4: -5.279 kcal/mol
  • Pose 5: -5.268 kcal/mol
  • Pose 6: -5.215 kcal/mol
  • Pose 7: -5.046 kcal/mol
  • Pose 8: -5.004 kcal/mol
  • Pose 9: -4.997 kcal/mol
CHEMBL175988_dpp4
Energy Plot
RMSD Scatter Plot