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

Docking Result

CHEMBL289399_dpp4

Atoms: 261
Models: 9
Best Energy: -8.923 kcal/mol

Binding Energies:
  • Pose 1: -8.923 kcal/mol
  • Pose 2: -8.247 kcal/mol
  • Pose 3: -8.203 kcal/mol
  • Pose 4: -8.137 kcal/mol
  • Pose 5: -7.88 kcal/mol
  • Pose 6: -7.641 kcal/mol
  • Pose 7: -7.42 kcal/mol
  • Pose 8: -7.271 kcal/mol
  • Pose 9: -7.119 kcal/mol
CHEMBL289399_dpp4
Energy Plot
RMSD Scatter Plot