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

Docking Result

CHEMBL184259_dpp4

Atoms: 207
Models: 9
Best Energy: -7.698 kcal/mol

Binding Energies:
  • Pose 1: -7.698 kcal/mol
  • Pose 2: -7.687 kcal/mol
  • Pose 3: -7.639 kcal/mol
  • Pose 4: -6.659 kcal/mol
  • Pose 5: -6.535 kcal/mol
  • Pose 6: -6.531 kcal/mol
  • Pose 7: -6.528 kcal/mol
  • Pose 8: -6.51 kcal/mol
  • Pose 9: -6.33 kcal/mol
CHEMBL184259_dpp4
Energy Plot
RMSD Scatter Plot