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

Docking Result

CHEMBL390418_dpp4

Atoms: 234
Models: 9
Best Energy: -7.792 kcal/mol

Binding Energies:
  • Pose 1: -7.792 kcal/mol
  • Pose 2: -7.739 kcal/mol
  • Pose 3: -7.674 kcal/mol
  • Pose 4: -7.467 kcal/mol
  • Pose 5: -7.391 kcal/mol
  • Pose 6: -7.316 kcal/mol
  • Pose 7: -7.284 kcal/mol
  • Pose 8: -7.054 kcal/mol
  • Pose 9: -7.033 kcal/mol
CHEMBL390418_dpp4
Energy Plot
RMSD Scatter Plot