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

Docking Result

CHEMBL2425064_dpp4

Atoms: 279
Models: 9
Best Energy: -7.627 kcal/mol

Binding Energies:
  • Pose 1: -7.627 kcal/mol
  • Pose 2: -7.615 kcal/mol
  • Pose 3: -7.563 kcal/mol
  • Pose 4: -7.553 kcal/mol
  • Pose 5: -7.471 kcal/mol
  • Pose 6: -7.334 kcal/mol
  • Pose 7: -7.25 kcal/mol
  • Pose 8: -7.079 kcal/mol
  • Pose 9: -7.037 kcal/mol
CHEMBL2425064_dpp4
Energy Plot
RMSD Scatter Plot