Design of intrinsically disordered protein variants with diverse structural properties.

ABSTRACT: Intrinsically disordered proteins (IDPs) perform a wide range of functions in biology, suggesting that the ability to design IDPs could help expand the repertoire of proteins with novel functions. Designing IDPs with specific structural or functional properties has, however, been diffcult, in part because determining accurate conformational ensembles of IDPs generally requires a combination of computational modelling and experiments. Motivated by recent advancements in effcient physics-based models for simulations of IDPs, we have developed a general algorithm for designing IDPs with specific structural properties. We demonstrate the power of the algorithm by generating variants of naturally occurring IDPs with different levels of compaction and that vary more than 100 fold in their propen

SUBMITTER: Pesce F 

PROVIDER: S-EPMC10634714 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature