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

Docking Result

CHEMBL1683099_dpp4

Atoms: 216
Models: 9
Best Energy: -7.987 kcal/mol

Binding Energies:
  • Pose 1: -7.987 kcal/mol
  • Pose 2: -7.676 kcal/mol
  • Pose 3: -7.632 kcal/mol
  • Pose 4: -7.304 kcal/mol
  • Pose 5: -7.293 kcal/mol
  • Pose 6: -7.18 kcal/mol
  • Pose 7: -6.985 kcal/mol
  • Pose 8: -6.705 kcal/mol
  • Pose 9: -6.664 kcal/mol
CHEMBL1683099_dpp4
Energy Plot
RMSD Scatter Plot