AbDesign: An algorithm for combinatorial backbone design guided by natural conformations and sequences.

ABSTRACT: Computational design of protein function has made substantial progress, generating new enzymes, binders, inhibitors, and nanomaterials not previously seen in nature. However, the ability to design new protein backbones for function--essential to exert control over all polypeptide degrees of freedom--remains a critical challenge. Most previous attempts to design new backbones computed the mainchain from scratch. Here, instead, we describe a combinatorial backbone and sequence optimization algorithm called AbDesign, which leverages the large number of sequences and experimentally determined molecular structures of antibodies to construct new antibody models, dock them against target surfaces and optimize their sequence and backbone conformation for high stability and binding affinity. We use

SUBMITTER: Lapidoth GD 

PROVIDER: S-EPMC4881815 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature