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

Docking Result

CHEMBL3343903_dpp4

Atoms: 171
Models: 9
Best Energy: -6.038 kcal/mol

Binding Energies:
  • Pose 1: -6.038 kcal/mol
  • Pose 2: -5.856 kcal/mol
  • Pose 3: -5.708 kcal/mol
  • Pose 4: -5.69 kcal/mol
  • Pose 5: -5.627 kcal/mol
  • Pose 6: -5.573 kcal/mol
  • Pose 7: -5.552 kcal/mol
  • Pose 8: -5.546 kcal/mol
  • Pose 9: -5.435 kcal/mol
CHEMBL3343903_dpp4
Energy Plot
RMSD Scatter Plot