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Documentation - chain_pair_pae_min #243

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YoavShamir5 opened this issue Jan 7, 2025 · 2 comments
Closed

Documentation - chain_pair_pae_min #243

YoavShamir5 opened this issue Jan 7, 2025 · 2 comments
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documentation Improvements or additions to documentation

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@YoavShamir5
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Hello AF3 team, in the output page, regarding chain_pair_pae_min:
"This has been found to correlate with whether two chains interact or not, and in some cases can be used to distinguish binders from non-binders."
The first part seems related to Figure 4e and 4c in the paper, could you please clarify the second part, regarding the ability to distinguish binders from non-binders?

@Augustin-Zidek Augustin-Zidek added the documentation Improvements or additions to documentation label Jan 7, 2025
@joshabramson
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Distinguishing binders from non-binders is a topic of ongoing research in the community, previously with AF2/multimer but now also with AF3 - all we want to indicate here is that this is a reasonable candidate measure to try (i.e. choose some threshold and say two proteins are binding if chain_pair_pae_min is below that value for that pair - a good value for the threshold is one such topic of research).

@joshabramson
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Note that 4c/e are an example of low pae for something that interacts, but don't go into the correlation between the two (it is just one positive example)

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