Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids.

ABSTRACT: Computation methods that predict the binding of peptides to MHC-I are important tools for screening and identifying immunogenic antigens and have the potential to accelerate vaccine and drug development. However, most available tools are sequence-based and optimized only for peptides containing the twenty canonical amino acids. This omits a large number of peptides containing non-canonical amino acids (NCAA), or residues that undergo varied post-translational modifications such as glycosylation or phosphorylation. These modifications fundamentally alter peptide immunogenicity. Similarly, existing structure-based methods are biased towards canonical peptide backbone structures, which may or may not be preserved when NCAAs are present. Rosetta FlexPepDock ab-initio is a structure-based compu

SUBMITTER: Bloodworth N 

PROVIDER: S-EPMC9746977 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature