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

Docking Result

CHEMBL402645_dpp4

Atoms: 261
Models: 9
Best Energy: -7.576 kcal/mol

Binding Energies:
  • Pose 1: -7.576 kcal/mol
  • Pose 2: -7.524 kcal/mol
  • Pose 3: -7.498 kcal/mol
  • Pose 4: -7.485 kcal/mol
  • Pose 5: -7.296 kcal/mol
  • Pose 6: -7.202 kcal/mol
  • Pose 7: -7.189 kcal/mol
  • Pose 8: -7.18 kcal/mol
  • Pose 9: -7.005 kcal/mol
CHEMBL402645_dpp4
Energy Plot
RMSD Scatter Plot