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

Docking Result

CHEMBL3736085_dpp4

Atoms: 297
Models: 9
Best Energy: -8.139 kcal/mol

Binding Energies:
  • Pose 1: -8.139 kcal/mol
  • Pose 2: -7.985 kcal/mol
  • Pose 3: -7.931 kcal/mol
  • Pose 4: -7.926 kcal/mol
  • Pose 5: -7.909 kcal/mol
  • Pose 6: -7.877 kcal/mol
  • Pose 7: -7.841 kcal/mol
  • Pose 8: -7.657 kcal/mol
  • Pose 9: -7.644 kcal/mol
CHEMBL3736085_dpp4
Energy Plot
RMSD Scatter Plot