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Sequence data gives structure?

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1366959.  Wed Dec 02, 2020 6:23 am Reply with quote

This caught my eye not least of all because it's the basic premise behind my thesis. The animation suggests that they use an iterative method but I wonder if they adjust that by starting at the initial folding conformation that would occur in an as yet incompletely translated nascent chain; anyway it's interesting news and definitely S related.

Predicting how a protein folds into a unique three-dimensional shape has puzzled scientists for half a century.

London-based AI lab, DeepMind, has largely cracked the problem, said the organisers of a scientific challenge.
Every two years, scores of teams from more than 20 countries blindly attempt to predict using computers the shape of a set of around 100 proteins from amino acid sequences alone.

At the same time, the 3-D structures are worked out in the lab by biologists using traditional techniques like X-ray crystallography and NMR spectroscopy, which determine the location of each atom relative to each other in the protein molecule.
In the latest round of the challenge, Casp-14, AlphaFold determined the shape of around two thirds of the proteins with accuracy comparable to laboratory experiments.

The assessors said accuracy with most of the other proteins was also high, though not quite at that level.

That's pretty close!

Folding animation

Data outputs and representations as ribbons diagrams


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