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

Docking Result

CHEMBL235120_dpp4

Atoms: 261
Models: 9
Best Energy: -7.648 kcal/mol

Binding Energies:
  • Pose 1: -7.648 kcal/mol
  • Pose 2: -7.573 kcal/mol
  • Pose 3: -7.552 kcal/mol
  • Pose 4: -7.526 kcal/mol
  • Pose 5: -7.406 kcal/mol
  • Pose 6: -7.194 kcal/mol
  • Pose 7: -7.125 kcal/mol
  • Pose 8: -7.091 kcal/mol
  • Pose 9: -7.063 kcal/mol
CHEMBL235120_dpp4
Energy Plot
RMSD Scatter Plot