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

Docking Result

CHEMBL566617_dpp4

Atoms: 270
Models: 9
Best Energy: -8.025 kcal/mol

Binding Energies:
  • Pose 1: -8.025 kcal/mol
  • Pose 2: -7.44 kcal/mol
  • Pose 3: -7.422 kcal/mol
  • Pose 4: -7.312 kcal/mol
  • Pose 5: -7.268 kcal/mol
  • Pose 6: -7.241 kcal/mol
  • Pose 7: -7.206 kcal/mol
  • Pose 8: -7.138 kcal/mol
  • Pose 9: -7.049 kcal/mol
CHEMBL566617_dpp4
Energy Plot
RMSD Scatter Plot