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

Docking Result

CHEMBL381626_dpp4

Atoms: 135
Models: 9
Best Energy: -6.007 kcal/mol

Binding Energies:
  • Pose 1: -6.007 kcal/mol
  • Pose 2: -5.334 kcal/mol
  • Pose 3: -5.281 kcal/mol
  • Pose 4: -5.182 kcal/mol
  • Pose 5: -5.128 kcal/mol
  • Pose 6: -5.117 kcal/mol
  • Pose 7: -5.051 kcal/mol
  • Pose 8: -5.01 kcal/mol
  • Pose 9: -5.004 kcal/mol
CHEMBL381626_dpp4
Energy Plot
RMSD Scatter Plot