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

Docking Result

CHEMBL394837_dpp4

Atoms: 333
Models: 9
Best Energy: -7.255 kcal/mol

Binding Energies:
  • Pose 1: -7.255 kcal/mol
  • Pose 2: -6.912 kcal/mol
  • Pose 3: -6.832 kcal/mol
  • Pose 4: -6.791 kcal/mol
  • Pose 5: -6.679 kcal/mol
  • Pose 6: -6.463 kcal/mol
  • Pose 7: -6.319 kcal/mol
  • Pose 8: -6.207 kcal/mol
  • Pose 9: -6.059 kcal/mol
CHEMBL394837_dpp4
Energy Plot
RMSD Scatter Plot