This open platform was built to allow further development of additional methods: github.com/diff-use/sampleworks Initial findings demonstrated that different structural predictors recover alternative conformations unevenly across proteins, suggesting memorization over generalization.
Simulations can be valuable but there is a huge need for scalable experiments that probe protein dynamics- of course we're expanding our work here and there's also great work from others @hkws.bsky.social @ginaelnesr.bsky.social Basile Wicky (not on bsky) @diffuseproject.bsky.social
Congrats to DiffUSE lead Stephanie Wankowicz @stephanieaw.bsky.social, on winning the inaugural Sheldrick Award! Her work on entropic flexibility and reproducibility in structural biology is core to what we're building. #crystallography #structuralbiology #openscience
aucryst.org/sheldrick-aw...