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Predicting 3D protein structures in light of evolution

Recent advances in AI-based 3D protein structure prediction could help address health-related questions, but may also have far-reaching implications for evolution. Here we discuss the advantages and limitations of high-quality 3D structural predictions by AlphaFold2 in unravelling the relationship between protein properties and their impact on fitness, and emphasize the need to integrate in silico structural predictions with functional genomic studies.

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Fig. 1: AlphaFold2 improves ASR.
Fig. 2: Structure–function relationship in orthologous SAM synthetases.


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D.M. is funded by the Israel Science Foundation (ISF) grant 372/17 and S.B. is funded by an ISF grant 1630/15.

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Correspondence to Shimon Bershtein or Dan Mishmar.

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The authors declare no competing interests.

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Peer review information Nature Ecology & Evolution thanks the anonymous reviewers for their contribution to the peer review of this work.

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Bershtein, S., Kleiner, D. & Mishmar, D. Predicting 3D protein structures in light of evolution. Nat Ecol Evol 5, 1195–1198 (2021).

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