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

Docking Result

CHEMBL5624938_dpp4

Atoms: 279
Models: 9
Best Energy: -8.505 kcal/mol

Binding Energies:
  • Pose 1: -8.505 kcal/mol
  • Pose 2: -8.356 kcal/mol
  • Pose 3: -8.194 kcal/mol
  • Pose 4: -8.093 kcal/mol
  • Pose 5: -7.8 kcal/mol
  • Pose 6: -7.722 kcal/mol
  • Pose 7: -7.672 kcal/mol
  • Pose 8: -7.584 kcal/mol
  • Pose 9: -7.549 kcal/mol
CHEMBL5624938_dpp4
Energy Plot
RMSD Scatter Plot