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Gemma C. Atkinson
@gemmaatkinson.bsky.social
Lecturer & group leader in Lund University. Computational microbiologist, mostly working on toxin-antitoxin systems, ribosomes and bacterial defence against phages. Director of the LU-Fold protein structure prediction infrastructure of LU. Atkinson-lab.com
350 followers356 following19 posts
GCgemmaatkinson.bsky.social

Thanks Lars! Yes this must absolutely be the last time anyone calls him young!

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GCgemmaatkinson.bsky.social

We have somewhat. I think we have it for running for AlphaLink, and my student is planning to install it on our local machine with the hope it handles big proteins better. But I, personally, have some catching up to do getting familiar with it!

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GCgemmaatkinson.bsky.social

Drop me an email if you want specific info and I’ll put you in touch with the group members with the know-how 👍

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GCgemmaatkinson.bsky.social

On national compute infrastructure that has its own rules about how we can run things eg CPU and GPU parts have to be separated

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GCgemmaatkinson.bsky.social

The set up theoretically is fairly straightforward in that we’re running AlphaFold multimer with mostly binary complexes but on a large-scale (eg one protein vs all proteins in a proteome) with output ranked by plddt and/or pdockq. In practice it’s not that simple as we’re running 1/

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GCgemmaatkinson.bsky.social

2 on average, but it can change... I think

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GCgemmaatkinson.bsky.social

Or requests go to an old email address after changing institution.

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GCgemmaatkinson.bsky.social

I'm wondering whether this actually reflects the diversity of group leaders in Biosustain? And if so, this would be a more serious problem than the diversity of one event...

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GC
Gemma C. Atkinson
@gemmaatkinson.bsky.social
Lecturer & group leader in Lund University. Computational microbiologist, mostly working on toxin-antitoxin systems, ribosomes and bacterial defence against phages. Director of the LU-Fold protein structure prediction infrastructure of LU. Atkinson-lab.com
350 followers356 following19 posts