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Re:AlphaFold developers win $3M breakthrough prize by gone35 on Thursday September 22, 2022 @06:37PM (#32945525)
Not with recent results in Nature I believe reporting glaring mispredictions. Lots of promotion notwithstanding, AlphaFold may not be usable yet.
Re:AlphaFold developers win $3M breakthrough prize by gone35 on Friday September 23, 2022 @01:21AM (#32948345)
Not Nature but Molecular Systems Biology [2], apologies, in the context of reverse docking for antibiotics discovery:

"We confirm extensive promiscuity, but find that the average area under the receiver operating characteristic curve (auROC) is 0.48, indicating weak model performance."

Derek Lowe had a post about this earlier this month [1] (which includes important qualifications I failed to omit).

[1] "Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery", Molecular Systems Biology 2022 18:e11081 https://doi.org/10.15252/msb.202211081

[2] "Not AlphaFold's Fault", September 7 2022, https://www.science.org/content/blog-post/not-alphafold-s-fa...

Re:AlphaFold developers win $3M breakthrough prize by flobosg on Friday September 23, 2022 @01:32AM (#32948416)
This is already known. Structural models are usually not well suited for protein-ligand docking, where proper pocket modelling and accurate side chain positioning are key for the determination of true positive hits.
Re:AlphaFold developers win $3M breakthrough prize by dekhn on Friday September 23, 2022 @10:30AM (#32952428)
Sorry, you don't know what you're talking about. Nobody is truly claiming these models can be used directly for drug discovery (well, some people claim that; but they're wrong). We already knew that, though- the same problem exists with high quality crystal structures.

What would be more interesting is if we did a whole bunch of crystal or cryo-EM structures far from what we've previously determined and demonstrate whether alphafold could make out-of-class predictions for them.

Re:AlphaFold developers win $3M breakthrough prize by dekhn on Thursday September 22, 2022 @07:01PM (#32945749)
Do you have links to that? have not seen those.
Re:AlphaFold developers win $3M breakthrough prize by gone35 on Friday September 23, 2022 @01:22AM (#32948355)
Yes. Posted here (and with some important qualifications): https://news.ycombinator.com/item?id=32948345