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

Docking Result

CHEMBL3330072_dpp4

Atoms: 234
Models: 9
Best Energy: -8.103 kcal/mol

Binding Energies:
  • Pose 1: -8.103 kcal/mol
  • Pose 2: -7.966 kcal/mol
  • Pose 3: -7.922 kcal/mol
  • Pose 4: -7.874 kcal/mol
  • Pose 5: -7.746 kcal/mol
  • Pose 6: -7.723 kcal/mol
  • Pose 7: -7.709 kcal/mol
  • Pose 8: -7.641 kcal/mol
  • Pose 9: -7.547 kcal/mol
CHEMBL3330072_dpp4
Energy Plot
RMSD Scatter Plot