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

Docking Result

CHEMBL2385285_dpp4

Atoms: 234
Models: 9
Best Energy: -8.135 kcal/mol

Binding Energies:
  • Pose 1: -8.135 kcal/mol
  • Pose 2: -8.002 kcal/mol
  • Pose 3: -7.813 kcal/mol
  • Pose 4: -7.784 kcal/mol
  • Pose 5: -7.76 kcal/mol
  • Pose 6: -7.694 kcal/mol
  • Pose 7: -7.539 kcal/mol
  • Pose 8: -7.436 kcal/mol
  • Pose 9: -7.397 kcal/mol
CHEMBL2385285_dpp4
Energy Plot
RMSD Scatter Plot