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

Docking Result

CHEMBL2178975_dpp4

Atoms: 324
Models: 9
Best Energy: -8.546 kcal/mol

Binding Energies:
  • Pose 1: -8.546 kcal/mol
  • Pose 2: -8.533 kcal/mol
  • Pose 3: -8.478 kcal/mol
  • Pose 4: -8.447 kcal/mol
  • Pose 5: -8.154 kcal/mol
  • Pose 6: -8.112 kcal/mol
  • Pose 7: -7.95 kcal/mol
  • Pose 8: -7.76 kcal/mol
  • Pose 9: -7.759 kcal/mol
CHEMBL2178975_dpp4
Energy Plot
RMSD Scatter Plot