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

Docking Result

CHEMBL320672_dpp4

Atoms: 171
Models: 9
Best Energy: -5.501 kcal/mol

Binding Energies:
  • Pose 1: -5.501 kcal/mol
  • Pose 2: -5.418 kcal/mol
  • Pose 3: -5.394 kcal/mol
  • Pose 4: -5.369 kcal/mol
  • Pose 5: -5.238 kcal/mol
  • Pose 6: -5.092 kcal/mol
  • Pose 7: -4.921 kcal/mol
  • Pose 8: -4.889 kcal/mol
  • Pose 9: -4.849 kcal/mol
CHEMBL320672_dpp4
Energy Plot
RMSD Scatter Plot