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

Docking Result

CHEMBL1650420_dpp4

Atoms: 279
Models: 9
Best Energy: -7.756 kcal/mol

Binding Energies:
  • Pose 1: -7.756 kcal/mol
  • Pose 2: -7.573 kcal/mol
  • Pose 3: -7.557 kcal/mol
  • Pose 4: -7.487 kcal/mol
  • Pose 5: -7.473 kcal/mol
  • Pose 6: -7.288 kcal/mol
  • Pose 7: -7.225 kcal/mol
  • Pose 8: -7.2 kcal/mol
  • Pose 9: -7.136 kcal/mol
CHEMBL1650420_dpp4
Energy Plot
RMSD Scatter Plot