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

Docking Result

CHEMBL217532_dpp4

Atoms: 243
Models: 9
Best Energy: -7.945 kcal/mol

Binding Energies:
  • Pose 1: -7.945 kcal/mol
  • Pose 2: -7.763 kcal/mol
  • Pose 3: -7.682 kcal/mol
  • Pose 4: -7.319 kcal/mol
  • Pose 5: -7.236 kcal/mol
  • Pose 6: -7.213 kcal/mol
  • Pose 7: -7.194 kcal/mol
  • Pose 8: -7.073 kcal/mol
  • Pose 9: -7.071 kcal/mol
CHEMBL217532_dpp4
Energy Plot
RMSD Scatter Plot