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

Docking Result

CHEMBL255517_dpp4

Atoms: 306
Models: 9
Best Energy: -7.728 kcal/mol

Binding Energies:
  • Pose 1: -7.728 kcal/mol
  • Pose 2: -7.699 kcal/mol
  • Pose 3: -7.603 kcal/mol
  • Pose 4: -7.582 kcal/mol
  • Pose 5: -7.568 kcal/mol
  • Pose 6: -7.533 kcal/mol
  • Pose 7: -7.519 kcal/mol
  • Pose 8: -7.516 kcal/mol
  • Pose 9: -7.319 kcal/mol
CHEMBL255517_dpp4
Energy Plot
RMSD Scatter Plot