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

Docking Result

CHEMBL3112965_dpp4

Atoms: 189
Models: 9
Best Energy: -6.642 kcal/mol

Binding Energies:
  • Pose 1: -6.642 kcal/mol
  • Pose 2: -6.641 kcal/mol
  • Pose 3: -6.584 kcal/mol
  • Pose 4: -6.456 kcal/mol
  • Pose 5: -6.389 kcal/mol
  • Pose 6: -6.371 kcal/mol
  • Pose 7: -6.352 kcal/mol
  • Pose 8: -6.316 kcal/mol
  • Pose 9: -6.278 kcal/mol
CHEMBL3112965_dpp4
Energy Plot
RMSD Scatter Plot