3 ms·
> To me the only part that seems miraculous is that it seems like we can predict novel structures (previously unknown conformations) using small fragments of te
by flobosg 2y ago
> To me the only part that seems miraculous is that it seems like we can predict novel structures (previously unknown conformations) using small fragments of templates rather than entire protein domains.
Just to add a bit of context: Rosetta’s de novo methods, which had the highest success rates of template-free structure prediction before the arrival of ML-based protocols, use a similar approach. Picking small fragments from protein structure databases reduces the conformational sampling space a lot.
- dekhn 2y agoYes, it was miraculous when they did it, too (a quarter century ago: https://pubmed.ncbi.nlm.nih.gov/10526365/ https://pubmed.ncbi.nlm.nih.gov/10526365/). I believe they called it ab-initio, which led to a lot of complaints because ab-initio means something entirely different (I've published with David Baker,but on a different topic).
- flobosg 2y ago> because ab-initio means something entirely different I agree, and that’s probably why they switched to de novo prediction/design at some point.