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. Author manuscript; available in PMC: 2024 Jul 25.
Published in final edited form as: J Chem Inf Model. 2023 Sep 12;63(18):5803–5822. doi: 10.1021/acs.jcim.3c01031

Figure 2.

Figure 2.

Schematic illustrating (a) how DOCK6 fragment libraries are derived by deconstructing molecules along rotatable bonds and (b) the top 19 fragments ordered by frequency (out of 382 retained) for a library derived from 13M drug-like molecules downloaded from ZINC.24 Based on the number of dummy atoms (magenta attachment points) the fragments are classified into sidechains (1 attachment point, N=217), linkers (2 attachment points, N=146), or scaffolds (3+ attachment points, N=19).

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