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

Docking Result

CHEMBL3093914_dpp4

Atoms: 216
Models: 9
Best Energy: -7.439 kcal/mol

Binding Energies:
  • Pose 1: -7.439 kcal/mol
  • Pose 2: -7.338 kcal/mol
  • Pose 3: -7.291 kcal/mol
  • Pose 4: -7.173 kcal/mol
  • Pose 5: -7.133 kcal/mol
  • Pose 6: -7.104 kcal/mol
  • Pose 7: -7.026 kcal/mol
  • Pose 8: -6.96 kcal/mol
  • Pose 9: -6.947 kcal/mol
CHEMBL3093914_dpp4
Energy Plot
RMSD Scatter Plot