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

Docking Result

CHEMBL392085_dpp4

Atoms: 261
Models: 9
Best Energy: -7.54 kcal/mol

Binding Energies:
  • Pose 1: -7.54 kcal/mol
  • Pose 2: -7.367 kcal/mol
  • Pose 3: -7.337 kcal/mol
  • Pose 4: -7.307 kcal/mol
  • Pose 5: -7.196 kcal/mol
  • Pose 6: -7.108 kcal/mol
  • Pose 7: -7.051 kcal/mol
  • Pose 8: -7.032 kcal/mol
  • Pose 9: -6.923 kcal/mol
CHEMBL392085_dpp4
Energy Plot
RMSD Scatter Plot