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

Docking Result

CHEMBL3694423_dpp4

Atoms: 315
Models: 9
Best Energy: -8.142 kcal/mol

Binding Energies:
  • Pose 1: -8.142 kcal/mol
  • Pose 2: -7.804 kcal/mol
  • Pose 3: -7.758 kcal/mol
  • Pose 4: -7.564 kcal/mol
  • Pose 5: -7.518 kcal/mol
  • Pose 6: -7.481 kcal/mol
  • Pose 7: -7.376 kcal/mol
  • Pose 8: -7.112 kcal/mol
  • Pose 9: -6.993 kcal/mol
CHEMBL3694423_dpp4
Energy Plot
RMSD Scatter Plot