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. Author manuscript; available in PMC: 2022 May 29.
Published in final edited form as: Chem Rev. 2021 Aug 18;121(22):13701–13796. doi: 10.1021/acs.chemrev.1c00308

Figure 15.

Figure 15.

Computational design of α-helical toroids. The protocol consists of a) ab initio folding to generate backbone conformations, b) sequence design of conformations, c) filtering to remove poor designs, d) clustering of results to identify recurring packing arrangements, e) resampling of structures from the clusters, and f) a final assessment of results by re-predicting the designed structures from their sequences. Adapted with permission from Ref.185. Copyright 2015 NPG.