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

Docking Result

CHEMBL3093924_dpp4

Atoms: 216
Models: 9
Best Energy: -8.145 kcal/mol

Binding Energies:
  • Pose 1: -8.145 kcal/mol
  • Pose 2: -7.906 kcal/mol
  • Pose 3: -7.673 kcal/mol
  • Pose 4: -7.623 kcal/mol
  • Pose 5: -7.593 kcal/mol
  • Pose 6: -7.456 kcal/mol
  • Pose 7: -7.351 kcal/mol
  • Pose 8: -7.231 kcal/mol
  • Pose 9: -7.085 kcal/mol
CHEMBL3093924_dpp4
Energy Plot
RMSD Scatter Plot