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

Docking Result

CHEMBL1808468_dpp4

Atoms: 256
Models: 8
Best Energy: -9.769 kcal/mol

Binding Energies:
  • Pose 1: -9.769 kcal/mol
  • Pose 2: -7.732 kcal/mol
  • Pose 3: -7.714 kcal/mol
  • Pose 4: -7.575 kcal/mol
  • Pose 5: -7.294 kcal/mol
  • Pose 6: -7.16 kcal/mol
  • Pose 7: -7.049 kcal/mol
  • Pose 8: -7.008 kcal/mol
CHEMBL1808468_dpp4
Energy Plot
RMSD Scatter Plot