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

Docking Result

CHEMBL1688518_dpp4

Atoms: 216
Models: 9
Best Energy: -6.639 kcal/mol

Binding Energies:
  • Pose 1: -6.639 kcal/mol
  • Pose 2: -6.61 kcal/mol
  • Pose 3: -6.488 kcal/mol
  • Pose 4: -6.314 kcal/mol
  • Pose 5: -6.259 kcal/mol
  • Pose 6: -6.145 kcal/mol
  • Pose 7: -5.966 kcal/mol
  • Pose 8: -5.774 kcal/mol
  • Pose 9: -5.748 kcal/mol
CHEMBL1688518_dpp4
Energy Plot
RMSD Scatter Plot