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

Docking Result

CHEMBL430_dpp4

Atoms: 279
Models: 9
Best Energy: -8.1 kcal/mol

Binding Energies:
  • Pose 1: -8.1 kcal/mol
  • Pose 2: -8.037 kcal/mol
  • Pose 3: -8.03 kcal/mol
  • Pose 4: -7.923 kcal/mol
  • Pose 5: -7.834 kcal/mol
  • Pose 6: -7.641 kcal/mol
  • Pose 7: -7.536 kcal/mol
  • Pose 8: -7.457 kcal/mol
  • Pose 9: -7.406 kcal/mol
CHEMBL430_dpp4
Energy Plot
RMSD Scatter Plot