Accurate prediction of protein assembly structure by combining AlphaFold and symmetrical docking
Mads Jeppesen, Ingemar André · 2023
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Description
Jeppesen and André combine two tools to predict the shapes of large, symmetric protein assemblies. AlphaFold predicts protein shapes well, but it has limits on chain and residue counts. Symmetric docking can place copies of a known subunit into ordered shells. The team joined the two: AlphaFold first folds the single unit, then docking builds the full shell. The method targets assemblies with cubic symmetry types.
On 27 test systems, the built assemblies matched the true shapes closely. The median match score was 0.99, and most models rated acceptable to high quality. The finished models are energy-tuned for study of contacts between subunits. The work extends accurate shape prediction to very large protein shells.
Catalog record
| CREATOR | Mads Jeppesen, Ingemar André |
|---|---|
| YEAR | 2023 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 90 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |