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

Docking Result

CHEMBL277693_dpp4

Atoms: 270
Models: 9
Best Energy: -7.802 kcal/mol

Binding Energies:
  • Pose 1: -7.802 kcal/mol
  • Pose 2: -7.745 kcal/mol
  • Pose 3: -7.741 kcal/mol
  • Pose 4: -7.707 kcal/mol
  • Pose 5: -7.662 kcal/mol
  • Pose 6: -7.607 kcal/mol
  • Pose 7: -7.458 kcal/mol
  • Pose 8: -7.401 kcal/mol
  • Pose 9: -7.247 kcal/mol
CHEMBL277693_dpp4
Energy Plot
RMSD Scatter Plot