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

Docking Result

CHEMBL290620_dpp4

Atoms: 243
Models: 9
Best Energy: -8.365 kcal/mol

Binding Energies:
  • Pose 1: -8.365 kcal/mol
  • Pose 2: -8.35 kcal/mol
  • Pose 3: -8.23 kcal/mol
  • Pose 4: -8.229 kcal/mol
  • Pose 5: -7.671 kcal/mol
  • Pose 6: -7.547 kcal/mol
  • Pose 7: -7.458 kcal/mol
  • Pose 8: -7.281 kcal/mol
  • Pose 9: -7.27 kcal/mol
CHEMBL290620_dpp4
Energy Plot
RMSD Scatter Plot