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

Docking Result

CHEMBL3357766_dpp4

Atoms: 306
Models: 9
Best Energy: -8.107 kcal/mol

Binding Energies:
  • Pose 1: -8.107 kcal/mol
  • Pose 2: -8.063 kcal/mol
  • Pose 3: -7.994 kcal/mol
  • Pose 4: -7.99 kcal/mol
  • Pose 5: -7.745 kcal/mol
  • Pose 6: -7.666 kcal/mol
  • Pose 7: -7.605 kcal/mol
  • Pose 8: -7.593 kcal/mol
  • Pose 9: -7.588 kcal/mol
CHEMBL3357766_dpp4
Energy Plot
RMSD Scatter Plot