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

Docking Result

CHEMBL200347_dpp4

Atoms: 234
Models: 9
Best Energy: -8.168 kcal/mol

Binding Energies:
  • Pose 1: -8.168 kcal/mol
  • Pose 2: -8.131 kcal/mol
  • Pose 3: -7.813 kcal/mol
  • Pose 4: -7.799 kcal/mol
  • Pose 5: -7.723 kcal/mol
  • Pose 6: -7.601 kcal/mol
  • Pose 7: -7.519 kcal/mol
  • Pose 8: -7.5 kcal/mol
  • Pose 9: -7.496 kcal/mol
CHEMBL200347_dpp4
Energy Plot
RMSD Scatter Plot