Protein structure prediction has reached the single-structure frontier.

Lane, Thomas J · Nat Methods · 2023

Level V

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Abstract

Dramatic advances in protein structure prediction have sparked debate as to whether the problem of predicting structure from sequence is solved or not. Here, I argue that AlphaFold2 and its peers are currently limited by the fact that they predict only a single structure, instead of a structural distribution, and that this realization is crucial for the next generation of structure prediction algorithms.

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