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

Docking Result

CHEMBL3112968_dpp4

Atoms: 315
Models: 9
Best Energy: -8.776 kcal/mol

Binding Energies:
  • Pose 1: -8.776 kcal/mol
  • Pose 2: -8.701 kcal/mol
  • Pose 3: -8.674 kcal/mol
  • Pose 4: -8.609 kcal/mol
  • Pose 5: -8.524 kcal/mol
  • Pose 6: -8.442 kcal/mol
  • Pose 7: -8.351 kcal/mol
  • Pose 8: -8.058 kcal/mol
  • Pose 9: -7.911 kcal/mol
CHEMBL3112968_dpp4
Energy Plot
RMSD Scatter Plot