Illuminating protein space with a programmable generative model.

ABSTRACT: Three billion years of evolution has produced a tremendous diversity of protein molecules¹, but the full potential of proteins is likely to be much greater. Accessing this potential has been challenging for both computation and experiments because the space of possible protein molecules is much larger than the space of those likely to have functions. Here we introduce Chroma, a generative model for proteins and protein complexes that can directly sample novel protein structures and sequences, and that can be conditioned to steer the generative process towards desired properties and functions. To enable this, we introduce a diffusion process that respects the conformational statistics of polymer ensembles, an efficient neural architecture for molecular systems that enables long-r

SUBMITTER: Ingraham JB 

PROVIDER: S-EPMC10686827 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature