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

Docking Result

CHEMBL3935335_dpp4

Atoms: 306
Models: 9
Best Energy: -8.932 kcal/mol

Binding Energies:
  • Pose 1: -8.932 kcal/mol
  • Pose 2: -8.844 kcal/mol
  • Pose 3: -8.7 kcal/mol
  • Pose 4: -8.691 kcal/mol
  • Pose 5: -8.61 kcal/mol
  • Pose 6: -8.559 kcal/mol
  • Pose 7: -8.463 kcal/mol
  • Pose 8: -8.382 kcal/mol
  • Pose 9: -8.182 kcal/mol
CHEMBL3935335_dpp4
Energy Plot
RMSD Scatter Plot