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

Docking Result

CHEMBL217005_dpp4

Atoms: 261
Models: 9
Best Energy: -6.009 kcal/mol

Binding Energies:
  • Pose 1: -6.009 kcal/mol
  • Pose 2: -5.903 kcal/mol
  • Pose 3: -5.71 kcal/mol
  • Pose 4: -5.698 kcal/mol
  • Pose 5: -5.66 kcal/mol
  • Pose 6: -5.615 kcal/mol
  • Pose 7: -5.541 kcal/mol
  • Pose 8: -5.501 kcal/mol
  • Pose 9: -5.496 kcal/mol
CHEMBL217005_dpp4
Energy Plot
RMSD Scatter Plot