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

Docking Result

CHEMBL92711_dpp4

Atoms: 198
Models: 9
Best Energy: -6.443 kcal/mol

Binding Energies:
  • Pose 1: -6.443 kcal/mol
  • Pose 2: -6.321 kcal/mol
  • Pose 3: -6.288 kcal/mol
  • Pose 4: -6.215 kcal/mol
  • Pose 5: -6.188 kcal/mol
  • Pose 6: -6.167 kcal/mol
  • Pose 7: -6.11 kcal/mol
  • Pose 8: -6.101 kcal/mol
  • Pose 9: -6 kcal/mol
CHEMBL92711_dpp4
Energy Plot
RMSD Scatter Plot