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

Docking Result

CHEMBL6162422_dpp4

Atoms: 243
Models: 9
Best Energy: -7.934 kcal/mol

Binding Energies:
  • Pose 1: -7.934 kcal/mol
  • Pose 2: -7.742 kcal/mol
  • Pose 3: -7.621 kcal/mol
  • Pose 4: -7.526 kcal/mol
  • Pose 5: -7.498 kcal/mol
  • Pose 6: -7.453 kcal/mol
  • Pose 7: -7.43 kcal/mol
  • Pose 8: -7.221 kcal/mol
  • Pose 9: -6.993 kcal/mol
CHEMBL6162422_dpp4
Energy Plot
RMSD Scatter Plot