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

Docking Result

CHEMBL248838_dpp4

Atoms: 243
Models: 9
Best Energy: -8.54 kcal/mol

Binding Energies:
  • Pose 1: -8.54 kcal/mol
  • Pose 2: -8.518 kcal/mol
  • Pose 3: -8.401 kcal/mol
  • Pose 4: -8.361 kcal/mol
  • Pose 5: -8.228 kcal/mol
  • Pose 6: -7.883 kcal/mol
  • Pose 7: -7.778 kcal/mol
  • Pose 8: -7.76 kcal/mol
  • Pose 9: -7.654 kcal/mol
CHEMBL248838_dpp4
Energy Plot
RMSD Scatter Plot