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

Docking Result

CHEMBL1688413_dpp4

Atoms: 207
Models: 9
Best Energy: -6.686 kcal/mol

Binding Energies:
  • Pose 1: -6.686 kcal/mol
  • Pose 2: -6.528 kcal/mol
  • Pose 3: -6.466 kcal/mol
  • Pose 4: -6.464 kcal/mol
  • Pose 5: -6.445 kcal/mol
  • Pose 6: -6.317 kcal/mol
  • Pose 7: -6.307 kcal/mol
  • Pose 8: -6.278 kcal/mol
  • Pose 9: -6.226 kcal/mol
CHEMBL1688413_dpp4
Energy Plot
RMSD Scatter Plot