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

Docking Result

CHEMBL427036_dpp4

Atoms: 198
Models: 9
Best Energy: -7.033 kcal/mol

Binding Energies:
  • Pose 1: -7.033 kcal/mol
  • Pose 2: -6.828 kcal/mol
  • Pose 3: -6.766 kcal/mol
  • Pose 4: -6.728 kcal/mol
  • Pose 5: -6.666 kcal/mol
  • Pose 6: -6.634 kcal/mol
  • Pose 7: -6.536 kcal/mol
  • Pose 8: -6.42 kcal/mol
  • Pose 9: -6.406 kcal/mol
CHEMBL427036_dpp4
Energy Plot
RMSD Scatter Plot