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

Docking Result

CHEMBL88953_dpp4

Atoms: 207
Models: 9
Best Energy: -7.187 kcal/mol

Binding Energies:
  • Pose 1: -7.187 kcal/mol
  • Pose 2: -7.185 kcal/mol
  • Pose 3: -7.085 kcal/mol
  • Pose 4: -7.058 kcal/mol
  • Pose 5: -6.818 kcal/mol
  • Pose 6: -6.791 kcal/mol
  • Pose 7: -6.724 kcal/mol
  • Pose 8: -6.628 kcal/mol
  • Pose 9: -6.612 kcal/mol
CHEMBL88953_dpp4
Energy Plot
RMSD Scatter Plot