Jay Shenoy

AlphaFold-like models such as Boltz-2 and AlphaFold3 learn powerful priors over structures from PDB. But how can we make them aware of new X-ray crystallography data? Introducing CrystalBoltz: end-to-end X-ray structure determination via experiment-guided diffusion. 1/4 🧵

AlphaFold-based models like Boltz-2 and BioEmu train on atomic conformational structures in order to predict protein dynamics. But is it possible to train these models directly on cryo-EM map ensembles, harnessing conformational data that is typically not deposited in the PDB? Introducing CryoSampler: a new approach for fine-tuning Boltz-2 with raw supervision on cryo-EM map ensembles. 1/6🧵