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

Docking Result

CHEMBL2178969_dpp4

Atoms: 306
Models: 9
Best Energy: -9.016 kcal/mol

Binding Energies:
  • Pose 1: -9.016 kcal/mol
  • Pose 2: -8.994 kcal/mol
  • Pose 3: -8.614 kcal/mol
  • Pose 4: -8.282 kcal/mol
  • Pose 5: -8.101 kcal/mol
  • Pose 6: -8.061 kcal/mol
  • Pose 7: -7.919 kcal/mol
  • Pose 8: -7.863 kcal/mol
  • Pose 9: -7.831 kcal/mol
CHEMBL2178969_dpp4
Energy Plot
RMSD Scatter Plot