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

Docking Result

CHEMBL1650435_dpp4

Atoms: 243
Models: 9
Best Energy: -7.492 kcal/mol

Binding Energies:
  • Pose 1: -7.492 kcal/mol
  • Pose 2: -7.361 kcal/mol
  • Pose 3: -7.23 kcal/mol
  • Pose 4: -7.144 kcal/mol
  • Pose 5: -7.053 kcal/mol
  • Pose 6: -6.937 kcal/mol
  • Pose 7: -6.93 kcal/mol
  • Pose 8: -6.891 kcal/mol
  • Pose 9: -6.853 kcal/mol
CHEMBL1650435_dpp4
Energy Plot
RMSD Scatter Plot