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[return to "AlphaFold reveals the structure of the protein universe"]
1. dalbas+l7[view] [source] 2022-07-28 12:19:57
>>MindGo+(OP)
Can someone put AlphaFold's problem space into perspective for me?

Why is protein folding important? Theoretical importance? Can we do something with protein folding knowledge? If so, what?

I've been hearing about AlphaFold from the CS side. There they seem to focus on protein folding primarily as an interesting space to apply their CS efforts.

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2. axg11+D9[view] [source] 2022-07-28 12:36:54
>>dalbas+l7
If we knew:

(a) the structure of every protein (what DeepMind is doing here)

(b) how different protein structures interact (i.e. protein complexes - DeepMind is working on this but not there yet)

Then we could use those two building blocks to design new proteins (drugs) that do what we want. If we solve those two problems with very high accuracy, we can also reduce the time it takes to go from starting a drug discovery programme to approved medicine.

Obtaining all protein structures and determining how they interact is a key step towards making biology more predictable. Previously, solving the structure of a protein was very time consuming. As a result, we didn’t know the structure for a majority of proteins. Now that it’s much faster, downstream research can move faster.

Caveat: we should remember that these are all computational predictions. AlphaFold’s predictions can be wrong and protein structures will still need to be validated. Having said that, lots of validation has already occurred and confidence in the predictions grows with every new iteration of AlphaFold.

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3. lamena+jf[view] [source] 2022-07-28 13:12:37
>>axg11+D9
How are the predictions validated? Waiting for the old fashioned way for... very difficult crystal structure experiments? Or something else?
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4. misnom+HB[view] [source] 2022-07-28 14:55:02
>>lamena+jf
For a lot of X-ray crystallography cases, some of the difficulty is working out with no prior information, the actual structure from the collected data. This makes a lot of that... much easier because with https://en.wikipedia.org/wiki/Molecular_replacement something that is "close, but not correct" can be used to bootstrap the actual structure from.
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