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

Docking Result

CHEMBL249174_dpp4

Atoms: 243
Models: 9
Best Energy: -7.837 kcal/mol

Binding Energies:
  • Pose 1: -7.837 kcal/mol
  • Pose 2: -7.667 kcal/mol
  • Pose 3: -7.639 kcal/mol
  • Pose 4: -7.457 kcal/mol
  • Pose 5: -7.383 kcal/mol
  • Pose 6: -7.234 kcal/mol
  • Pose 7: -7.207 kcal/mol
  • Pose 8: -7.076 kcal/mol
  • Pose 9: -7.023 kcal/mol
CHEMBL249174_dpp4
Energy Plot
RMSD Scatter Plot