forgotpwagain 2 days ago

Very cool. There are also methods that allow you to extract some notion of motion from variability in CryoEM data, e.g. CryoDRGN-ET [1].

I'm curious if you've worked with any of those models and how they relate to NMR data and MD simulations.

[1] https://www.nature.com/articles/s41592-024-02340-4

2
abhishaike 2 days ago

+1 to this!

I've also written a potentially helpful coverage piece on extracting conformations from cryo-EM data: https://www.owlposting.com/p/a-primer-on-ml-in-cryo-electron...

colingauvin 2 days ago

There are also techniques that combine both. In my experience (as an experimental structural biologist working in drug design), they frequently disagree.