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

Docking Result

CHEMBL180664_dpp4

Atoms: 162
Models: 9
Best Energy: -7.68 kcal/mol

Binding Energies:
  • Pose 1: -7.68 kcal/mol
  • Pose 2: -7.546 kcal/mol
  • Pose 3: -7.391 kcal/mol
  • Pose 4: -7.184 kcal/mol
  • Pose 5: -7.179 kcal/mol
  • Pose 6: -6.828 kcal/mol
  • Pose 7: -6.512 kcal/mol
  • Pose 8: -6.506 kcal/mol
  • Pose 9: -6.203 kcal/mol
CHEMBL180664_dpp4
Energy Plot
RMSD Scatter Plot