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

Docking Result

CHEMBL177735_dpp4

Atoms: 135
Models: 9
Best Energy: -5.537 kcal/mol

Binding Energies:
  • Pose 1: -5.537 kcal/mol
  • Pose 2: -5.498 kcal/mol
  • Pose 3: -5.295 kcal/mol
  • Pose 4: -5.272 kcal/mol
  • Pose 5: -5.226 kcal/mol
  • Pose 6: -5.2 kcal/mol
  • Pose 7: -5.183 kcal/mol
  • Pose 8: -5.112 kcal/mol
  • Pose 9: -4.989 kcal/mol
CHEMBL177735_dpp4
Energy Plot
RMSD Scatter Plot