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

Docking Result

CHEMBL1688419_dpp4

Atoms: 234
Models: 9
Best Energy: -7.482 kcal/mol

Binding Energies:
  • Pose 1: -7.482 kcal/mol
  • Pose 2: -7.245 kcal/mol
  • Pose 3: -7.167 kcal/mol
  • Pose 4: -7.156 kcal/mol
  • Pose 5: -6.951 kcal/mol
  • Pose 6: -6.914 kcal/mol
  • Pose 7: -6.71 kcal/mol
  • Pose 8: -6.674 kcal/mol
  • Pose 9: -6.463 kcal/mol
CHEMBL1688419_dpp4
Energy Plot
RMSD Scatter Plot