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

Docking Result

CHEMBL232315_dpp4

Atoms: 180
Models: 9
Best Energy: -6.136 kcal/mol

Binding Energies:
  • Pose 1: -6.136 kcal/mol
  • Pose 2: -6.035 kcal/mol
  • Pose 3: -6.028 kcal/mol
  • Pose 4: -5.952 kcal/mol
  • Pose 5: -5.907 kcal/mol
  • Pose 6: -5.871 kcal/mol
  • Pose 7: -5.781 kcal/mol
  • Pose 8: -5.631 kcal/mol
  • Pose 9: -5.411 kcal/mol
CHEMBL232315_dpp4
Energy Plot
RMSD Scatter Plot