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William F. DeGrado

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Open access Sep 2026

De novo pan-rhodamine binders for fluorescence microscopy from mammalian cells to extremophiles.

Fluorescent imaging in live cells is a cornerstone of life sciences. While natural fluorescent proteins have been engineered to enhance individual features, no existing tag combines ideal properties into a single system: high brightness, reversible binding, compact size, and stability across diverse conditions. Here, w...

Yu-Da Chen, Klaus Yserentant, Kibeom Hong et al. · 0 citations
Aug 2026

Ultrafast Proton-Coupled Electron Transfer Reactions at Unit Quantum Yield.

Proton-coupled electron transfer (PCET) reactions mediate essential biological energy-conversion processes, yet dynamical experiments that distinguish concerted electron/proton motion from sequential electron-transfer/proton-transfer pathways are unprecedented on ultrafast time scales. Here we report a tightly coupled...

Rui Liu, Zachary X. W. Widel, Jia-Qi Zhu et al. · 1 citation
#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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