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

Docking Result

CHEMBL2086596_dpp4

Atoms: 243
Models: 9
Best Energy: -7.476 kcal/mol

Binding Energies:
  • Pose 1: -7.476 kcal/mol
  • Pose 2: -7.235 kcal/mol
  • Pose 3: -7.187 kcal/mol
  • Pose 4: -7.074 kcal/mol
  • Pose 5: -7.008 kcal/mol
  • Pose 6: -6.924 kcal/mol
  • Pose 7: -6.877 kcal/mol
  • Pose 8: -6.832 kcal/mol
  • Pose 9: -6.826 kcal/mol
CHEMBL2086596_dpp4
Energy Plot
RMSD Scatter Plot