Structure, Not Sequence: Tracking and Validating Folding Mechanisms in ESMFold's Trunk with Sparse Autoencoders
Structure predictors like ESMFold fold proteins using neural network computation and have transformed structural biology. However, the driving mechanism from amino-acid (AA) sequence to 3D structure is insufficiently understood, and biological meaning remains locked in the dense network. Sparse autoencoders (SAEs) have...
Bo-Han Liu, Xiao-Han Fan, Wenqian Ye et al.
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