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

Docking Result

CHEMBL426469_dpp4

Atoms: 243
Models: 9
Best Energy: -8.125 kcal/mol

Binding Energies:
  • Pose 1: -8.125 kcal/mol
  • Pose 2: -8.027 kcal/mol
  • Pose 3: -7.995 kcal/mol
  • Pose 4: -7.672 kcal/mol
  • Pose 5: -7.624 kcal/mol
  • Pose 6: -7.611 kcal/mol
  • Pose 7: -7.537 kcal/mol
  • Pose 8: -7.47 kcal/mol
  • Pose 9: -7.464 kcal/mol
CHEMBL426469_dpp4
Energy Plot
RMSD Scatter Plot