Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets.

Nat Commun · 2021 · PMC8140102 · PMID 34021153

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a clear trendno p-value reported

Without expectation maximization, the extreme labels (i.e., 0,1) track well with helix stability, but structures labeled between 0.1 and 0.9 do not show a clear trend of helix compaction.

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