Thank you for asking. I hope we will manage to meet in person some time and then I can give you the full story. It was kind of a perfect storm happening here.

I fully agree with you. In specific applications, fluorophosphonates and similar reagents have been successfully used for residue-specific detection of at least catalytic residues, but a general Ser/Thr is still at least very hard to detect in this context. The acylation reagents allow it a bit.

They also compared their identified ligand binding sites to those predicted by Boltz-2. They find that Boltz-2 predicts orthosteric binding well, but tends to also localize non-orthosteric binders to the orthosteric binding site. (2/2)
#ChemSky #ChemBio #ChemicalProteomics #ChemPro #ProteoProbes

Thanks so much for the kind words, @jeremybaskin.bsky.social! Great that you took the time to really dig into our paper. Amazing to hear that you find the findings interesting and the workflows useful.

Updates are coming in the coming days. Just follow the #ISCPDD and you should get it all. Sadly, it seems like there was no homepage and not sure, if I can share the program on socials.