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

Docking Result

CHEMBL93931_dpp4

Atoms: 162
Models: 9
Best Energy: -7.127 kcal/mol

Binding Energies:
  • Pose 1: -7.127 kcal/mol
  • Pose 2: -6.734 kcal/mol
  • Pose 3: -6.405 kcal/mol
  • Pose 4: -6.369 kcal/mol
  • Pose 5: -6.348 kcal/mol
  • Pose 6: -6.264 kcal/mol
  • Pose 7: -6.149 kcal/mol
  • Pose 8: -5.821 kcal/mol
  • Pose 9: -5.715 kcal/mol
CHEMBL93931_dpp4
Energy Plot
RMSD Scatter Plot