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

Docking Result

CHEMBL3697946_dpp4

Atoms: 324
Models: 9
Best Energy: -8.026 kcal/mol

Binding Energies:
  • Pose 1: -8.026 kcal/mol
  • Pose 2: -7.953 kcal/mol
  • Pose 3: -7.82 kcal/mol
  • Pose 4: -7.799 kcal/mol
  • Pose 5: -7.486 kcal/mol
  • Pose 6: -7.479 kcal/mol
  • Pose 7: -7.457 kcal/mol
  • Pose 8: -7.418 kcal/mol
  • Pose 9: -7.369 kcal/mol
CHEMBL3697946_dpp4
Energy Plot
RMSD Scatter Plot