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

Docking Result

CHEMBL3979866_dpp4

Atoms: 387
Models: 9
Best Energy: -7.594 kcal/mol

Binding Energies:
  • Pose 1: -7.594 kcal/mol
  • Pose 2: -7.517 kcal/mol
  • Pose 3: -7.416 kcal/mol
  • Pose 4: -7.367 kcal/mol
  • Pose 5: -7.355 kcal/mol
  • Pose 6: -7.305 kcal/mol
  • Pose 7: -7.304 kcal/mol
  • Pose 8: -7.172 kcal/mol
  • Pose 9: -7.15 kcal/mol
CHEMBL3979866_dpp4
Energy Plot
RMSD Scatter Plot