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

Docking Result

CHEMBL2346920_dpp4

Atoms: 225
Models: 9
Best Energy: -7.372 kcal/mol

Binding Energies:
  • Pose 1: -7.372 kcal/mol
  • Pose 2: -7.175 kcal/mol
  • Pose 3: -6.662 kcal/mol
  • Pose 4: -6.453 kcal/mol
  • Pose 5: -6.442 kcal/mol
  • Pose 6: -6.416 kcal/mol
  • Pose 7: -6.368 kcal/mol
  • Pose 8: -6.251 kcal/mol
  • Pose 9: -6.247 kcal/mol
CHEMBL2346920_dpp4
Energy Plot
RMSD Scatter Plot