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

Docking Result

CHEMBL1688428_dpp4

Atoms: 234
Models: 9
Best Energy: -7.995 kcal/mol

Binding Energies:
  • Pose 1: -7.995 kcal/mol
  • Pose 2: -7.842 kcal/mol
  • Pose 3: -7.829 kcal/mol
  • Pose 4: -7.649 kcal/mol
  • Pose 5: -7.486 kcal/mol
  • Pose 6: -7.379 kcal/mol
  • Pose 7: -7.355 kcal/mol
  • Pose 8: -7.315 kcal/mol
  • Pose 9: -7.173 kcal/mol
CHEMBL1688428_dpp4
Energy Plot
RMSD Scatter Plot