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

Docking Result

CHEMBL3233839_dpp4

Atoms: 234
Models: 9
Best Energy: -7.678 kcal/mol

Binding Energies:
  • Pose 1: -7.678 kcal/mol
  • Pose 2: -7.484 kcal/mol
  • Pose 3: -7.435 kcal/mol
  • Pose 4: -7.283 kcal/mol
  • Pose 5: -7.218 kcal/mol
  • Pose 6: -7.211 kcal/mol
  • Pose 7: -7.204 kcal/mol
  • Pose 8: -7.189 kcal/mol
  • Pose 9: -7.129 kcal/mol
CHEMBL3233839_dpp4
Energy Plot
RMSD Scatter Plot