MutDock: A computational docking approach for fixed-backbone protein scaffold design.

ABSTRACT: Despite the successes of antibodies as therapeutic binding proteins, they still face production and design challenges. Alternative binding scaffolds of smaller size have been developed to overcome these issues. A subset of these alternative scaffolds recognizes target molecules through mutations to a set of surface resides, which does not alter their backbone structures. While the computational design of antibodies for target epitopes has been explored in depth, the same has not been done for alternative scaffolds. The commonly used dock-and-mutate approach for binding proteins, including antibodies, is limited because it uses a constant sequence and structure representation of the scaffold. Docking fixed-backbone scaffolds with a varied group of surface amino acids increases the chances o

SUBMITTER: Chauhan VM 

PROVIDER: S-EPMC9465448 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature