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

Docking Result

CHEMBL584698_dpp4

Atoms: 288
Models: 9
Best Energy: -7.986 kcal/mol

Binding Energies:
  • Pose 1: -7.986 kcal/mol
  • Pose 2: -7.905 kcal/mol
  • Pose 3: -7.878 kcal/mol
  • Pose 4: -7.777 kcal/mol
  • Pose 5: -7.767 kcal/mol
  • Pose 6: -7.704 kcal/mol
  • Pose 7: -7.662 kcal/mol
  • Pose 8: -7.537 kcal/mol
  • Pose 9: -7.503 kcal/mol
CHEMBL584698_dpp4
Energy Plot
RMSD Scatter Plot