"De novo prediction of protein structural dynamics" I'll be presenting an overview of the field tomorrow at a workshop. Link to a PDF copy of the presentation: delalamo.xyz/assets/post_... - ThreadSky

delalamo.xyz • 5 days ago

"De novo prediction of protein structural dynamics"

I'll be presenting an overview of the field tomorrow at a workshop. Link to a PDF copy of the presentation: https://delalamo.xyz/assets/post_images/2025_04_27_PPT.pdf

Comments

jumartin.bsky.social•3 days ago

thanks for sharing !

invemichele.bsky.social•4 days ago

Thanks for sharing!

johnmcbride4lyf.bsky.social•5 days ago

Unpublished work of mine: I tried using AF2 MSA-subsampling to compare single-AA variants with known differences in dynamics. I never got anything useful, so it never went into the paper. I think I generated several hundreds of conformations, and didn't find any robust statistical differences.

delalamo.xyz•4 days ago

Ah you should’ve included in the SI! I’m always pressed for examples of negative results like that

johnmcbride4lyf.bsky.social•4 days ago

Aye, I often do. But I had time constraints, and it would have been a lot of work to make it presentable.
Also... how many people read the SI? I almost always do, but I'm starting to think that this is rare (perhaps now because I talk to music scientists more than physical scientists)

maxfus.bsky.social•5 days ago

Really nice overview! Did I overlook or did you miss dyna-1?
https://www.biorxiv.org/content/10.1101/2025.03.19.642801v1

delalamo.xyz•5 days ago

Thanks! The talk is exclusively focused on methods for explicitly modeling these dynamics, rather than detection or predictions of bulk properties resulting from the dynamics. That's why I left it out. It was quite hard to fit all the material I wanted in a single ~45m presentation

proteinator.bsky.social•5 days ago

Is there a stream of the talk or maybe there’s gonna be a recording?

delalamo.xyz•5 days ago

Unfortunately not! I might rewrite it as a blog post (which is not the same thing, but hopefully gives most of the same info)

kirkdco.bsky.social•4 days ago

Yes, please! This is a fantastic resource as it is, but a blog post or arXiv paper would be wonderful.

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