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

Docking Result

CHEMBL3236110_dpp4

Atoms: 234
Models: 9
Best Energy: -7.593 kcal/mol

Binding Energies:
  • Pose 1: -7.593 kcal/mol
  • Pose 2: -7.499 kcal/mol
  • Pose 3: -7.442 kcal/mol
  • Pose 4: -7.408 kcal/mol
  • Pose 5: -7.2 kcal/mol
  • Pose 6: -7.026 kcal/mol
  • Pose 7: -6.959 kcal/mol
  • Pose 8: -6.825 kcal/mol
  • Pose 9: -6.663 kcal/mol
CHEMBL3236110_dpp4
Energy Plot
RMSD Scatter Plot