Table 4.
Number of unique molecules constructed using different D3N protocols in 57 proteins starting from 15 different fragments each as anchors for growth over 9 layers.
D3N-loose | D3N-drugc | D3N-narrow | |
---|---|---|---|
Constructed a | 282,989 | 184,118 | 11,903 |
D3N-rejected | 724 | 565,823 | 651,423 |
Values reflect the number of unique molecules created for each anchor simulation with duplicates entries removed (see Methods).