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

Docking Result

CHEMBL269952_dpp4

Atoms: 252
Models: 9
Best Energy: -7.268 kcal/mol

Binding Energies:
  • Pose 1: -7.268 kcal/mol
  • Pose 2: -7.209 kcal/mol
  • Pose 3: -6.735 kcal/mol
  • Pose 4: -6.671 kcal/mol
  • Pose 5: -6.605 kcal/mol
  • Pose 6: -6.514 kcal/mol
  • Pose 7: -6.503 kcal/mol
  • Pose 8: -6.434 kcal/mol
  • Pose 9: -6.235 kcal/mol
CHEMBL269952_dpp4
Energy Plot
RMSD Scatter Plot