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

Docking Result

CHEMBL232572_dpp4

Atoms: 216
Models: 9
Best Energy: -6.597 kcal/mol

Binding Energies:
  • Pose 1: -6.597 kcal/mol
  • Pose 2: -6.59 kcal/mol
  • Pose 3: -6.569 kcal/mol
  • Pose 4: -6.533 kcal/mol
  • Pose 5: -6.496 kcal/mol
  • Pose 6: -6.238 kcal/mol
  • Pose 7: -6.117 kcal/mol
  • Pose 8: -6.082 kcal/mol
  • Pose 9: -6.074 kcal/mol
CHEMBL232572_dpp4
Energy Plot
RMSD Scatter Plot