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

Docking Result

CHEMBL1650432_dpp4

Atoms: 243
Models: 9
Best Energy: -7.899 kcal/mol

Binding Energies:
  • Pose 1: -7.899 kcal/mol
  • Pose 2: -7.749 kcal/mol
  • Pose 3: -7.453 kcal/mol
  • Pose 4: -7.259 kcal/mol
  • Pose 5: -7.091 kcal/mol
  • Pose 6: -7.031 kcal/mol
  • Pose 7: -7.028 kcal/mol
  • Pose 8: -6.797 kcal/mol
  • Pose 9: -6.677 kcal/mol
CHEMBL1650432_dpp4
Energy Plot
RMSD Scatter Plot