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

Docking Result

CHEMBL243798_dpp4

Atoms: 207
Models: 9
Best Energy: -7.678 kcal/mol

Binding Energies:
  • Pose 1: -7.678 kcal/mol
  • Pose 2: -7.412 kcal/mol
  • Pose 3: -7.383 kcal/mol
  • Pose 4: -7.278 kcal/mol
  • Pose 5: -7.265 kcal/mol
  • Pose 6: -7.259 kcal/mol
  • Pose 7: -7.224 kcal/mol
  • Pose 8: -7.203 kcal/mol
  • Pose 9: -7.083 kcal/mol
CHEMBL243798_dpp4
Energy Plot
RMSD Scatter Plot