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

Docking Result

CHEMBL216178_dpp4

Atoms: 315
Models: 9
Best Energy: -6.418 kcal/mol

Binding Energies:
  • Pose 1: -6.418 kcal/mol
  • Pose 2: -6.173 kcal/mol
  • Pose 3: -6.142 kcal/mol
  • Pose 4: -6.133 kcal/mol
  • Pose 5: -6.117 kcal/mol
  • Pose 6: -6.033 kcal/mol
  • Pose 7: -6.023 kcal/mol
  • Pose 8: -5.651 kcal/mol
  • Pose 9: -5.593 kcal/mol
CHEMBL216178_dpp4
Energy Plot
RMSD Scatter Plot