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

Docking Result

CHEMBL3645495_dpp4

Atoms: 279
Models: 9
Best Energy: -7.993 kcal/mol

Binding Energies:
  • Pose 1: -7.993 kcal/mol
  • Pose 2: -7.721 kcal/mol
  • Pose 3: -7.7 kcal/mol
  • Pose 4: -7.432 kcal/mol
  • Pose 5: -7.429 kcal/mol
  • Pose 6: -7.356 kcal/mol
  • Pose 7: -7.342 kcal/mol
  • Pose 8: -7.251 kcal/mol
  • Pose 9: -7.209 kcal/mol
CHEMBL3645495_dpp4
Energy Plot
RMSD Scatter Plot