Predicting HLA class I non-permissive amino acid residues substitutions.
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ABSTRACT:
SUBMITTER: Binkowski TA
PROVIDER: S-EPMC3414483 | biostudies-literature | 2012
REPOSITORIES: biostudies-literature
Publications
Predicting HLA class I non-permissive amino acid residues substitutions.
Binkowski T Andrew TA Marino Susana R SR Joachimiak Andrzej A
PloS one 20120808 8
Prediction of peptide binding to human leukocyte antigen (HLA) molecules is essential to a wide range of clinical entities from vaccine design to stem cell transplant compatibility. Here we present a new structure-based methodology that applies robust computational tools to model peptide-HLA (p-HLA) binding interactions. The method leverages the structural conservation observed in p-HLA complexes to significantly reduce the search space and calculate the system's binding free energy. This approa ...[more]
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