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

Docking Result

CHEMBL219370_dpp4

Atoms: 252
Models: 9
Best Energy: -8.368 kcal/mol

Binding Energies:
  • Pose 1: -8.368 kcal/mol
  • Pose 2: -8.277 kcal/mol
  • Pose 3: -8.187 kcal/mol
  • Pose 4: -7.945 kcal/mol
  • Pose 5: -7.877 kcal/mol
  • Pose 6: -7.87 kcal/mol
  • Pose 7: -7.852 kcal/mol
  • Pose 8: -7.832 kcal/mol
  • Pose 9: -7.761 kcal/mol
CHEMBL219370_dpp4
Energy Plot
RMSD Scatter Plot