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

Docking Result

CHEMBL3644452_dpp4

Atoms: 243
Models: 9
Best Energy: -8.087 kcal/mol

Binding Energies:
  • Pose 1: -8.087 kcal/mol
  • Pose 2: -7.678 kcal/mol
  • Pose 3: -7.363 kcal/mol
  • Pose 4: -7.104 kcal/mol
  • Pose 5: -6.881 kcal/mol
  • Pose 6: -6.75 kcal/mol
  • Pose 7: -6.688 kcal/mol
  • Pose 8: -6.46 kcal/mol
  • Pose 9: -6.375 kcal/mol
CHEMBL3644452_dpp4
Energy Plot
RMSD Scatter Plot