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Table 2 The protein–ligand interactions of the 100 best-docked compounds from the large-scale de novo run, per BINANA

From: AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization

 D766D770H862G863R865R878Y907
Cation-\(\uppi\)00980000
Hydrogen bond30110056471
Electrostatic1004130090
T-stacking00710000
\(\uppi\)\(\uppi\)00100000100
  1. Infrequent interactions (< 10%) are excluded. Values are given as percents