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

Docking Result

CHEMBL6060914_dpp4

Atoms: 180
Models: 9
Best Energy: -7.419 kcal/mol

Binding Energies:
  • Pose 1: -7.419 kcal/mol
  • Pose 2: -6.941 kcal/mol
  • Pose 3: -6.69 kcal/mol
  • Pose 4: -6.598 kcal/mol
  • Pose 5: -6.576 kcal/mol
  • Pose 6: -6.506 kcal/mol
  • Pose 7: -6.43 kcal/mol
  • Pose 8: -6.28 kcal/mol
  • Pose 9: -6.255 kcal/mol
CHEMBL6060914_dpp4
Energy Plot
RMSD Scatter Plot