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

Docking Result

CHEMBL2206474_dpp4

Atoms: 324
Models: 9
Best Energy: -8.058 kcal/mol

Binding Energies:
  • Pose 1: -8.058 kcal/mol
  • Pose 2: -7.998 kcal/mol
  • Pose 3: -7.927 kcal/mol
  • Pose 4: -7.897 kcal/mol
  • Pose 5: -7.842 kcal/mol
  • Pose 6: -7.714 kcal/mol
  • Pose 7: -7.657 kcal/mol
  • Pose 8: -7.506 kcal/mol
  • Pose 9: -7.448 kcal/mol
CHEMBL2206474_dpp4
Energy Plot
RMSD Scatter Plot