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Author

A. K. Hatstat

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#protein folding Open access Sep 2026

De novo design of ligand binding proteins using large language models alone

Testing the ability of common large language models to consider design principles to generate de novo proteins that bind metals and lipophilic small molecules without copying existing sequences highlights the utility of LLMs in making protein design more comprehensible and accessible to users without sophisticated desi...

Nam Hyeong Kim, A. K. Hatstat, Hyunil Jo et al. · 1 citation
Open access Aug 2026

De novo design of a protein fold for small-molecule binding through aromatic π stacking

The de novo design of proteins that bind chemically complex small molecules has broad chemical and biological implications, but strategies typically rely on a small set of protein scaffolds and require extensive experimental screening. Here, we computationally designed proteins around a minimal aromatic π-stacking moti...

S. Ouchida, Maggie Horst, Xuxu Gou et al. · 0 citations

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