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

Docking Result

CHEMBL418788_dpp4

Atoms: 216
Models: 9
Best Energy: -6.887 kcal/mol

Binding Energies:
  • Pose 1: -6.887 kcal/mol
  • Pose 2: -6.711 kcal/mol
  • Pose 3: -6.676 kcal/mol
  • Pose 4: -6.662 kcal/mol
  • Pose 5: -6.659 kcal/mol
  • Pose 6: -6.565 kcal/mol
  • Pose 7: -6.486 kcal/mol
  • Pose 8: -6.464 kcal/mol
  • Pose 9: -6.317 kcal/mol
CHEMBL418788_dpp4
Energy Plot
RMSD Scatter Plot