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

Docking Result

CHEMBL3735129_dpp4

Atoms: 315
Models: 9
Best Energy: -8.757 kcal/mol

Binding Energies:
  • Pose 1: -8.757 kcal/mol
  • Pose 2: -8.465 kcal/mol
  • Pose 3: -8.36 kcal/mol
  • Pose 4: -8.358 kcal/mol
  • Pose 5: -8.194 kcal/mol
  • Pose 6: -8.155 kcal/mol
  • Pose 7: -8.1 kcal/mol
  • Pose 8: -7.823 kcal/mol
  • Pose 9: -7.812 kcal/mol
CHEMBL3735129_dpp4
Energy Plot
RMSD Scatter Plot