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

Docking Result

CHEMBL480537_dpp4

Atoms: 252
Models: 9
Best Energy: -8.089 kcal/mol

Binding Energies:
  • Pose 1: -8.089 kcal/mol
  • Pose 2: -7.68 kcal/mol
  • Pose 3: -7.542 kcal/mol
  • Pose 4: -7.467 kcal/mol
  • Pose 5: -7.442 kcal/mol
  • Pose 6: -7.437 kcal/mol
  • Pose 7: -7.346 kcal/mol
  • Pose 8: -7.274 kcal/mol
  • Pose 9: -7.163 kcal/mol
CHEMBL480537_dpp4
Energy Plot
RMSD Scatter Plot