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

Docking Result

CHEMBL3805154_dpp4

Atoms: 297
Models: 9
Best Energy: -8.598 kcal/mol

Binding Energies:
  • Pose 1: -8.598 kcal/mol
  • Pose 2: -8.592 kcal/mol
  • Pose 3: -8.3 kcal/mol
  • Pose 4: -8.297 kcal/mol
  • Pose 5: -8.28 kcal/mol
  • Pose 6: -8.097 kcal/mol
  • Pose 7: -8.051 kcal/mol
  • Pose 8: -7.962 kcal/mol
  • Pose 9: -7.853 kcal/mol
CHEMBL3805154_dpp4
Energy Plot
RMSD Scatter Plot