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

Docking Result

CHEMBL232595_dpp4

Atoms: 252
Models: 9
Best Energy: -7.651 kcal/mol

Binding Energies:
  • Pose 1: -7.651 kcal/mol
  • Pose 2: -7.516 kcal/mol
  • Pose 3: -6.951 kcal/mol
  • Pose 4: -6.942 kcal/mol
  • Pose 5: -6.832 kcal/mol
  • Pose 6: -6.768 kcal/mol
  • Pose 7: -6.754 kcal/mol
  • Pose 8: -6.731 kcal/mol
  • Pose 9: -6.728 kcal/mol
CHEMBL232595_dpp4
Energy Plot
RMSD Scatter Plot