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

Docking Result

CHEMBL2206488_dpp4

Atoms: 297
Models: 9
Best Energy: -7.996 kcal/mol

Binding Energies:
  • Pose 1: -7.996 kcal/mol
  • Pose 2: -7.824 kcal/mol
  • Pose 3: -7.77 kcal/mol
  • Pose 4: -7.659 kcal/mol
  • Pose 5: -7.644 kcal/mol
  • Pose 6: -7.632 kcal/mol
  • Pose 7: -7.525 kcal/mol
  • Pose 8: -7.515 kcal/mol
  • Pose 9: -7.495 kcal/mol
CHEMBL2206488_dpp4
Energy Plot
RMSD Scatter Plot