AlphaFold 3 represents a breakthrough in predicting the 3D structures of complexes directly from their sequences, offering insights into biomolecular interactions. Extending predictions to molecular behavior and function requires a shift from viewing biomolecules as static 3D structures to dynamic conformational ensembles.
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Acknowledgements
This work was supported by National Institute of Health (NIH) and US National Institute for General Medical Sciences (NIGMS) grants 1R01AI178848-01 and U54AI150470 to H.M.A.
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H.M.A. is an adviser to and holds an ownership interest in Base4, an RNA-based drug discovery company. R.R. declares no competing interest.
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Roy, R., Al-Hashimi, H.M. AlphaFold3 takes a step toward decoding molecular behavior and biological computation. Nat Struct Mol Biol 31, 997–1000 (2024). https://doi.org/10.1038/s41594-024-01350-2
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DOI: https://doi.org/10.1038/s41594-024-01350-2