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

Docking Result

CHEMBL2086606_dpp4

Atoms: 261
Models: 9
Best Energy: -8.442 kcal/mol

Binding Energies:
  • Pose 1: -8.442 kcal/mol
  • Pose 2: -8.114 kcal/mol
  • Pose 3: -7.903 kcal/mol
  • Pose 4: -7.74 kcal/mol
  • Pose 5: -7.615 kcal/mol
  • Pose 6: -7.519 kcal/mol
  • Pose 7: -7.303 kcal/mol
  • Pose 8: -7.147 kcal/mol
  • Pose 9: -7.071 kcal/mol
CHEMBL2086606_dpp4
Energy Plot
RMSD Scatter Plot