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

Docking Result

CHEMBL151999_dpp4

Atoms: 243
Models: 9
Best Energy: -8.171 kcal/mol

Binding Energies:
  • Pose 1: -8.171 kcal/mol
  • Pose 2: -7.881 kcal/mol
  • Pose 3: -7.857 kcal/mol
  • Pose 4: -7.646 kcal/mol
  • Pose 5: -7.615 kcal/mol
  • Pose 6: -7.573 kcal/mol
  • Pose 7: -7.523 kcal/mol
  • Pose 8: -7.375 kcal/mol
  • Pose 9: -7.32 kcal/mol
CHEMBL151999_dpp4
Energy Plot
RMSD Scatter Plot