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

Docking Result

CHEMBL3233568_dpp4

Atoms: 180
Models: 9
Best Energy: -6.536 kcal/mol

Binding Energies:
  • Pose 1: -6.536 kcal/mol
  • Pose 2: -6.501 kcal/mol
  • Pose 3: -6.495 kcal/mol
  • Pose 4: -6.474 kcal/mol
  • Pose 5: -6.364 kcal/mol
  • Pose 6: -6.288 kcal/mol
  • Pose 7: -6.212 kcal/mol
  • Pose 8: -6.166 kcal/mol
  • Pose 9: -6.061 kcal/mol
CHEMBL3233568_dpp4
Energy Plot
RMSD Scatter Plot