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

Docking Result

CHEMBL4537702_dpp4

Atoms: 306
Models: 9
Best Energy: -8.721 kcal/mol

Binding Energies:
  • Pose 1: -8.721 kcal/mol
  • Pose 2: -8.349 kcal/mol
  • Pose 3: -8.23 kcal/mol
  • Pose 4: -8.183 kcal/mol
  • Pose 5: -8.137 kcal/mol
  • Pose 6: -8.017 kcal/mol
  • Pose 7: -8.005 kcal/mol
  • Pose 8: -7.852 kcal/mol
  • Pose 9: -7.706 kcal/mol
CHEMBL4537702_dpp4
Energy Plot
RMSD Scatter Plot