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

Docking Result

CHEMBL1683559_dpp4

Atoms: 270
Models: 9
Best Energy: -8.174 kcal/mol

Binding Energies:
  • Pose 1: -8.174 kcal/mol
  • Pose 2: -8.162 kcal/mol
  • Pose 3: -8.135 kcal/mol
  • Pose 4: -8.065 kcal/mol
  • Pose 5: -7.997 kcal/mol
  • Pose 6: -7.957 kcal/mol
  • Pose 7: -7.942 kcal/mol
  • Pose 8: -7.937 kcal/mol
  • Pose 9: -7.67 kcal/mol
CHEMBL1683559_dpp4
Energy Plot
RMSD Scatter Plot