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

Docking Result

CHEMBL1085075_dpp4

Atoms: 225
Models: 9
Best Energy: -6.882 kcal/mol

Binding Energies:
  • Pose 1: -6.882 kcal/mol
  • Pose 2: -6.794 kcal/mol
  • Pose 3: -6.45 kcal/mol
  • Pose 4: -6.401 kcal/mol
  • Pose 5: -6.341 kcal/mol
  • Pose 6: -6.332 kcal/mol
  • Pose 7: -6.222 kcal/mol
  • Pose 8: -6.187 kcal/mol
  • Pose 9: -6.161 kcal/mol
CHEMBL1085075_dpp4
Energy Plot
RMSD Scatter Plot