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

Docking Result

CHEMBL3093898_dpp4

Atoms: 198
Models: 9
Best Energy: -7.507 kcal/mol

Binding Energies:
  • Pose 1: -7.507 kcal/mol
  • Pose 2: -7.161 kcal/mol
  • Pose 3: -7.011 kcal/mol
  • Pose 4: -6.99 kcal/mol
  • Pose 5: -6.99 kcal/mol
  • Pose 6: -6.953 kcal/mol
  • Pose 7: -6.752 kcal/mol
  • Pose 8: -6.622 kcal/mol
  • Pose 9: -6.49 kcal/mol
CHEMBL3093898_dpp4
Energy Plot
RMSD Scatter Plot