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

Docking Result

CHEMBL3919178_dpp4

Atoms: 243
Models: 9
Best Energy: -9.245 kcal/mol

Binding Energies:
  • Pose 1: -9.245 kcal/mol
  • Pose 2: -8.505 kcal/mol
  • Pose 3: -7.835 kcal/mol
  • Pose 4: -7.82 kcal/mol
  • Pose 5: -7.657 kcal/mol
  • Pose 6: -7.599 kcal/mol
  • Pose 7: -7.589 kcal/mol
  • Pose 8: -7.531 kcal/mol
  • Pose 9: -7.434 kcal/mol
CHEMBL3919178_dpp4
Energy Plot
RMSD Scatter Plot