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

Docking Result

CHEMBL501521_dpp4

Atoms: 162
Models: 9
Best Energy: -5.747 kcal/mol

Binding Energies:
  • Pose 1: -5.747 kcal/mol
  • Pose 2: -5.711 kcal/mol
  • Pose 3: -5.554 kcal/mol
  • Pose 4: -5.53 kcal/mol
  • Pose 5: -5.461 kcal/mol
  • Pose 6: -5.379 kcal/mol
  • Pose 7: -5.371 kcal/mol
  • Pose 8: -5.361 kcal/mol
  • Pose 9: -5.307 kcal/mol
CHEMBL501521_dpp4
Energy Plot
RMSD Scatter Plot