Computational design of bifaceted protein nanomaterials.

ABSTRACT: Advances in computational methods have led to considerable progress in the design of protein nanomaterials. However, nearly all nanoparticles designed so far exhibit strict point group symmetry, which limits structural diversity and precludes anisotropic functionalization. Here we describe a computational strategy for designing multicomponent bifaceted protein nanomaterials with two distinctly addressable sides. The method centres on docking pseudosymmetric hetero-oligomeric building blocks in architectures with dihedral symmetry and designing an asymmetric protein-protein interface between them. We obtain an initial 30-subunit assembly with pseudo-D₅ symmetry and generate variants in which we alter the size and morphology of the bifaceted nanoparticles by designing extensions t

SUBMITTER: Rankovic S 

PROVIDER: S-EPMC12407187 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature