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questions for pAE compute #307

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kdnghw opened this issue Dec 31, 2024 · 0 comments
Open

questions for pAE compute #307

kdnghw opened this issue Dec 31, 2024 · 0 comments

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@kdnghw
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kdnghw commented Dec 31, 2024

Hello! I have recently read your article "Atomically accurate de novo design of single-domain antibodies" and am very interested in it. In this article, there is a computational metric called pAE (predicted Aligned Error). In my studies, pAE refers to the alignment error between each pair of residues. If I calculate pAE for a segment of the sequence (for example, the CDR3 region), the result should be in the form of a matrix that stores the pAE between each pair of residues. How do you integrate the pAE of each pair of residues into a single value? And how is the criterion of pAE being less than 10 derived?

If you can clarify my doubts, I would be very grateful!

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