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

Docking Result

CHEMBL170051_dpp4

Atoms: 261
Models: 9
Best Energy: -8.24 kcal/mol

Binding Energies:
  • Pose 1: -8.24 kcal/mol
  • Pose 2: -8.228 kcal/mol
  • Pose 3: -8.146 kcal/mol
  • Pose 4: -8.145 kcal/mol
  • Pose 5: -7.745 kcal/mol
  • Pose 6: -7.617 kcal/mol
  • Pose 7: -7.603 kcal/mol
  • Pose 8: -7.42 kcal/mol
  • Pose 9: -7.276 kcal/mol
CHEMBL170051_dpp4
Energy Plot
RMSD Scatter Plot