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

Docking Result

CHEMBL425483_dpp4

Atoms: 240
Models: 8
Best Energy: -8.668 kcal/mol

Binding Energies:
  • Pose 1: -8.668 kcal/mol
  • Pose 2: -8.6 kcal/mol
  • Pose 3: -8.174 kcal/mol
  • Pose 4: -8.12 kcal/mol
  • Pose 5: -8.06 kcal/mol
  • Pose 6: -8.038 kcal/mol
  • Pose 7: -7.937 kcal/mol
  • Pose 8: -7.913 kcal/mol
CHEMBL425483_dpp4
Energy Plot
RMSD Scatter Plot