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

Docking Result

CHEMBL2022529_dpp4

Atoms: 198
Models: 9
Best Energy: -7.852 kcal/mol

Binding Energies:
  • Pose 1: -7.852 kcal/mol
  • Pose 2: -7.449 kcal/mol
  • Pose 3: -7.394 kcal/mol
  • Pose 4: -7.048 kcal/mol
  • Pose 5: -6.986 kcal/mol
  • Pose 6: -6.963 kcal/mol
  • Pose 7: -6.957 kcal/mol
  • Pose 8: -6.905 kcal/mol
  • Pose 9: -6.901 kcal/mol
CHEMBL2022529_dpp4
Energy Plot
RMSD Scatter Plot