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Paper · arXiv

Neural spectroscopy of AlphaFold2 reveals encoded protein conformational landscapes

AlphaFold2's 93 million parameters, shaped by the evolutionary record of protein structure encoded in the Protein Data Bank and in sequence alignments, are conventionally treated only as machinery for converting sequence to structure. We propose they are also a scientific object that can be analyzed directly: a learned encoding of protein conformational organization that can be probed and characterized. By smoothing the Evoformer's weight tensors with a Gaussian convolution and scaling the result, we show that the trained model produces physically structured conformational landscapes. Under perturbation, ubiquitin's native contacts break in the order established by decades of folding expe...

AuthorsKaustav Mehta
Primary categorycs.LG
Published17 July 2026
Last updated at source17 July 2026
cs.LGq-bio.BM
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