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

Docking Result

CHEMBL3330054_dpp4

Atoms: 207
Models: 9
Best Energy: -7.433 kcal/mol

Binding Energies:
  • Pose 1: -7.433 kcal/mol
  • Pose 2: -7.25 kcal/mol
  • Pose 3: -7.182 kcal/mol
  • Pose 4: -7.178 kcal/mol
  • Pose 5: -7.132 kcal/mol
  • Pose 6: -7.063 kcal/mol
  • Pose 7: -7.023 kcal/mol
  • Pose 8: -7.016 kcal/mol
  • Pose 9: -6.881 kcal/mol
CHEMBL3330054_dpp4
Energy Plot
RMSD Scatter Plot