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

Docking Result

CHEMBL3093908_dpp4

Atoms: 225
Models: 9
Best Energy: -8.35 kcal/mol

Binding Energies:
  • Pose 1: -8.35 kcal/mol
  • Pose 2: -8.007 kcal/mol
  • Pose 3: -7.914 kcal/mol
  • Pose 4: -7.588 kcal/mol
  • Pose 5: -7.465 kcal/mol
  • Pose 6: -7.454 kcal/mol
  • Pose 7: -7.404 kcal/mol
  • Pose 8: -7.212 kcal/mol
  • Pose 9: -7.11 kcal/mol
CHEMBL3093908_dpp4
Energy Plot
RMSD Scatter Plot