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

Docking Result

CHEMBL390853_dpp4

Atoms: 261
Models: 9
Best Energy: -6.309 kcal/mol

Binding Energies:
  • Pose 1: -6.309 kcal/mol
  • Pose 2: -6.169 kcal/mol
  • Pose 3: -6.1 kcal/mol
  • Pose 4: -6.096 kcal/mol
  • Pose 5: -5.843 kcal/mol
  • Pose 6: -5.763 kcal/mol
  • Pose 7: -5.749 kcal/mol
  • Pose 8: -5.738 kcal/mol
  • Pose 9: -5.395 kcal/mol
CHEMBL390853_dpp4
Energy Plot
RMSD Scatter Plot