The AbDesign computational pipeline for modular backbone assembly and design of binders and enzymes.

ABSTRACT: The functional sites of many protein families are dominated by diverse backbone regions that lack secondary structure (loops) but fold stably into their functionally competent state. Nevertheless, the design of structured loop regions from scratch, especially in functional sites, has met with great difficulty. We therefore developed an approach, called AbDesign, to exploit the natural modularity of many protein families and computationally assemble a large number of new backbones by combining naturally occurring modular fragments. This strategy yielded large, atomically accurate, and highly efficient proteins, including antibodies and enzymes exhibiting dozens of mutations from any natural protein. The combinatorial backbone-conformation space that can be accessed by AbDesign even for a mo

SUBMITTER: Lipsh-Sokolik R 

PROVIDER: S-EPMC7737780 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature