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

Docking Result

CHEMBL209344_dpp4

Atoms: 198
Models: 9
Best Energy: -7.136 kcal/mol

Binding Energies:
  • Pose 1: -7.136 kcal/mol
  • Pose 2: -6.717 kcal/mol
  • Pose 3: -6.69 kcal/mol
  • Pose 4: -6.557 kcal/mol
  • Pose 5: -6.501 kcal/mol
  • Pose 6: -6.484 kcal/mol
  • Pose 7: -6.468 kcal/mol
  • Pose 8: -6.462 kcal/mol
  • Pose 9: -6.458 kcal/mol
CHEMBL209344_dpp4
Energy Plot
RMSD Scatter Plot