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

Docking Result

CHEMBL235201_dpp4

Atoms: 252
Models: 9
Best Energy: -8.573 kcal/mol

Binding Energies:
  • Pose 1: -8.573 kcal/mol
  • Pose 2: -8.335 kcal/mol
  • Pose 3: -8.152 kcal/mol
  • Pose 4: -8.13 kcal/mol
  • Pose 5: -7.863 kcal/mol
  • Pose 6: -7.856 kcal/mol
  • Pose 7: -7.853 kcal/mol
  • Pose 8: -7.799 kcal/mol
  • Pose 9: -7.768 kcal/mol
CHEMBL235201_dpp4
Energy Plot
RMSD Scatter Plot