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Paper · arXiv

Co-folding model guided by structural proteomics

Protein structure generative models excel at predicting single protein static structures from sequence, but routinely fail to capture the correct conformational state of protein complexes, critical for protein design and induced proximity modalities such as antibodies and PROTACs. While structural proteomics techniques like Cross-Linking Mass Spectrometry (XL-MS) and Hydrogen-Deuterium Exchange (HDX-MS) offer valuable spatial and dynamic insights, integrating these sparse, heterogeneous measurements into these models remains an open challenge. Here, we bridge this gap by combining structural proteomics data with the rich biophysical priors learned by pretrained diffusion models. We introd...

AuthorsAlon Shtrikman, Nitzan Simchi, Michal Ran Shchory et al.
Primary categorycs.LG
Published25 May 2026
Last updated at source25 May 2026
cs.LGcs.AIq-bio.BM
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