Ymir: A 3D structural affinity model for multi-epitope vaccine simulations.

ABSTRACT: Vaccine development is challenged by the hierarchy of immunodominance between target antigen epitopes and the emergence of antigenic variants by pathogen mutation. The strength and breadth of antibody responses relies on selection and mutation in the germinal center and on the structural similarity between antigens. Computational methods for assessing the breadth of germinal center responses to multivalent antigens are critical to speed up vaccine development. Yet, such methods have poorly reflected the 3D antigen structure and antibody breadth. Here, we present Ymir, a new 3D-lattice-based framework that calculates in silico antibody-antigen affinities. Key physiological properties naturally emerge from Ymir such as affinity jumps, cross-reactivity, and differential e

SUBMITTER: Robert PA 

PROVIDER: S-EPMC8405928 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature