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

Docking Result

CHEMBL3580788_dpp4

Atoms: 297
Models: 9
Best Energy: -6.821 kcal/mol

Binding Energies:
  • Pose 1: -6.821 kcal/mol
  • Pose 2: -6.769 kcal/mol
  • Pose 3: -6.746 kcal/mol
  • Pose 4: -6.621 kcal/mol
  • Pose 5: -6.498 kcal/mol
  • Pose 6: -6.305 kcal/mol
  • Pose 7: -6.249 kcal/mol
  • Pose 8: -6.135 kcal/mol
  • Pose 9: -5.998 kcal/mol
CHEMBL3580788_dpp4
Energy Plot
RMSD Scatter Plot