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

Docking Result

CHEMBL193168_dpp4

Atoms: 234
Models: 9
Best Energy: -7.98 kcal/mol

Binding Energies:
  • Pose 1: -7.98 kcal/mol
  • Pose 2: -7.469 kcal/mol
  • Pose 3: -7.458 kcal/mol
  • Pose 4: -7.457 kcal/mol
  • Pose 5: -7.408 kcal/mol
  • Pose 6: -7.367 kcal/mol
  • Pose 7: -7.29 kcal/mol
  • Pose 8: -7.168 kcal/mol
  • Pose 9: -6.987 kcal/mol
CHEMBL193168_dpp4
Energy Plot
RMSD Scatter Plot