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

Docking Result

CHEMBL1082997_dpp4

Atoms: 207
Models: 9
Best Energy: -6.785 kcal/mol

Binding Energies:
  • Pose 1: -6.785 kcal/mol
  • Pose 2: -6.726 kcal/mol
  • Pose 3: -6.656 kcal/mol
  • Pose 4: -6.585 kcal/mol
  • Pose 5: -6.575 kcal/mol
  • Pose 6: -6.491 kcal/mol
  • Pose 7: -6.396 kcal/mol
  • Pose 8: -6.243 kcal/mol
  • Pose 9: -6.239 kcal/mol
CHEMBL1082997_dpp4
Energy Plot
RMSD Scatter Plot