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

Docking Result

CHEMBL217702_dpp4

Atoms: 315
Models: 9
Best Energy: -6.045 kcal/mol

Binding Energies:
  • Pose 1: -6.045 kcal/mol
  • Pose 2: -5.877 kcal/mol
  • Pose 3: -5.763 kcal/mol
  • Pose 4: -5.705 kcal/mol
  • Pose 5: -5.556 kcal/mol
  • Pose 6: -5.505 kcal/mol
  • Pose 7: -5.343 kcal/mol
  • Pose 8: -5.321 kcal/mol
  • Pose 9: -5.161 kcal/mol
CHEMBL217702_dpp4
Energy Plot
RMSD Scatter Plot