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

Docking Result

CHEMBL3127987_dpp4

Atoms: 189
Models: 9
Best Energy: -6.374 kcal/mol

Binding Energies:
  • Pose 1: -6.374 kcal/mol
  • Pose 2: -6.292 kcal/mol
  • Pose 3: -6.25 kcal/mol
  • Pose 4: -6.206 kcal/mol
  • Pose 5: -6.162 kcal/mol
  • Pose 6: -6.123 kcal/mol
  • Pose 7: -5.9 kcal/mol
  • Pose 8: -5.868 kcal/mol
  • Pose 9: -5.864 kcal/mol
CHEMBL3127987_dpp4
Energy Plot
RMSD Scatter Plot